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289902-82-5 | Propanoic acid, 2,2-dimethyl-, 3-[[2-[4-(2-aminoethoxy)-3-methoxyphenyl]acetyl]amino]-2-[(3,4-dimethylphenyl)methyl]propyl ester
CAS No: 289902-82-5 Catalog No: AG002V4I MDL No:
Product Description
Catalog Number:
AG002V4I
Chemical Name:
Propanoic acid, 2,2-dimethyl-, 3-[[2-[4-(2-aminoethoxy)-3-methoxyphenyl]acetyl]amino]-2-[(3,4-dimethylphenyl)methyl]propyl ester
CAS Number:
289902-82-5
Molecular Formula:
C28H40N2O5
Molecular Weight:
484.6276
IUPAC Name:
[2-[[[2-[4-(2-aminoethoxy)-3-methoxyphenyl]acetyl]amino]methyl]-3-(3,4-dimethylphenyl)propyl] 2,2-dimethylpropanoate
InChI:
InChI=1S/C28H40N2O5/c1-19-7-8-21(13-20(19)2)14-23(18-35-27(32)28(3,4)5)17-30-26(31)16-22-9-10-24(34-12-11-29)25(15-22)33-6/h7-10,13,15,23H,11-12,14,16-18,29H2,1-6H3,(H,30,31)
InChI Key:
QCXKDTJMFXXVLP-UHFFFAOYSA-N
SMILES:
NCCOc1ccc(cc1OC)CC(=O)NCC(Cc1ccc(c(c1)C)C)COC(=O)C(C)(C)C
Properties
Complexity:
650
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
484.294g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
484.637g/mol
Monoisotopic Mass:
484.294g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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