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112081-40-0 | Butanamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-
CAS No: 112081-40-0 Catalog No: AG0083LT MDL No:
Product Description
Catalog Number:
AG0083LT
Chemical Name:
Butanamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-
CAS Number:
112081-40-0
Molecular Formula:
C15H18N2O3
Molecular Weight:
274.3150
IUPAC Name:
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxobutanamide
InChI:
InChI=1S/C15H18N2O3/c1-10(18)7-15(19)16-6-5-11-9-17-14-4-3-12(20-2)8-13(11)14/h3-4,8-9,17H,5-7H2,1-2H3,(H,16,19)
InChI Key:
NMQJDEDRZIUFBH-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(CCNC(=O)CC(=O)C)c[nH]2
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.132g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.32g/mol
Monoisotopic Mass:
274.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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