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71519-94-3 | Butanoic acid,3-[[5-(acetylamino)-2-methoxyphenyl]amino]-, ethyl ester
CAS No: 71519-94-3 Catalog No: AG005H4G MDL No:MFCD00100980
Product Description
Catalog Number:
AG005H4G
Chemical Name:
Butanoic acid,3-[[5-(acetylamino)-2-methoxyphenyl]amino]-, ethyl ester
CAS Number:
71519-94-3
Molecular Formula:
C15H22N2O4
Molecular Weight:
294.3462
MDL Number:
MFCD00100980
IUPAC Name:
ethyl 3-(5-acetamido-2-methoxyanilino)butanoate
InChI:
InChI=1S/C15H22N2O4/c1-5-21-15(19)8-10(2)16-13-9-12(17-11(3)18)6-7-14(13)20-4/h6-7,9-10,16H,5,8H2,1-4H3,(H,17,18)
InChI Key:
RSQNACZIAAOUOS-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(Nc1cc(ccc1OC)NC(=O)C)C
EC Number:
275-590-8
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.158g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.351g/mol
Monoisotopic Mass:
294.158g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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