N-[(1R)-1-(3-benzamidophenyl)ethyl]-3-methoxy-N,4-dimethylbenzamide

C25H26N2O3 — CID 31870263

IUPACN-[(1R)-1-(3-benzamidophenyl)ethyl]-3-methoxy-N,4-dimethylbenzamide
SMILESCOc1cc(C(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)ccc1C
InChIInChI=1S/C25H26N2O3/c1-17-13-14-21(16-23(17)30-4)25(29)27(3)18(2)20-11-8-12-22(15-20)26-24(28)19-9-6-5-7-10-19/h5-16,18H,1-4H3,(H,26,28)/t18-/m1/s1
InChIKeyOLYWNOINJDWXDA-GOSISDBHSA-N
MW402.49 g/mol
LogP5.09
Rot. Bonds6

About N-[(1R)-1-(3-benzamidophenyl)ethyl]-3-methoxy-N,4-dimethylbenzamide

N-[(1R)-1-(3-benzamidophenyl)ethyl]-3-methoxy-N,4-dimethylbenzamide (PubChem CID 31870263) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[(1R)-1-(3-benzamidophenyl)ethyl]-3-methoxy-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-benzamidophenyl)ethyl]-3-methoxy-N,4-dimethylbenzamide
PubChem CID31870263
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-[(1R)-1-(3-benzamidophenyl)ethyl]-3-methoxy-N,4-dimethylbenzamide
SMILESCOc1cc(C(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)ccc1C
InChIInChI=1S/C25H26N2O3/c1-17-13-14-21(16-23(17)30-4)25(29)27(3)18(2)20-11-8-12-22(15-20)26-24(28)19-9-6-5-7-10-19/h5-16,18H,1-4H3,(H,26,28)/t18-/m1/s1
InChIKeyOLYWNOINJDWXDA-GOSISDBHSA-N
XLogP5.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide
CID 46537045
N-[(1R)-1-(3-benzamidophenyl)ethyl]-N-methyl-3H-benzimidazole-5-carboxamide
CID 31869991
tert-butyl N-[3-[1-(3-benzamidophenyl)ethyl-methylcarbamoyl]phenyl]carbamate
CID 46533494
N-[1-(3-benzamidophenyl)ethyl]-N-methyl-3-nitrobenzamide
CID 46533511
N-[1-(3-benzamidophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 46514714
N-(3-benzoylphenyl)-3-methoxy-4-methylbenzamide
CID 52843930
N-[(1R)-1-(3-benzamidophenyl)ethyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 31870185
N-[3-[(1R)-1-[cyclopentylmethylcarbamoyl(methyl)amino]ethyl]phenyl]benzamide
CID 94122244
4-benzamido-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 42953411
N-[3-[1-[4-(4-methoxyphenoxy)butanoyl-methylamino]ethyl]phenyl]benzamide
CID 46533483
N-[3-[(1S)-1-[cyclopentanecarbonyl(methyl)amino]ethyl]phenyl]benzamide
CID 51930710
N-[3-[1-[[2-(3-fluorophenyl)acetyl]-methylamino]ethyl]phenyl]benzamide
CID 46537955

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-benzamidophenyl)ethyl]-3-methoxy-N,4-dimethylbenzamide?
The IUPAC name of N-[(1R)-1-(3-benzamidophenyl)ethyl]-3-methoxy-N,4-dimethylbenzamide (CID 31870263) is N-[(1R)-1-(3-benzamidophenyl)ethyl]-3-methoxy-N,4-dimethylbenzamide.
What is the SMILES notation for N-[(1R)-1-(3-benzamidophenyl)ethyl]-3-methoxy-N,4-dimethylbenzamide?
The canonical SMILES for N-[(1R)-1-(3-benzamidophenyl)ethyl]-3-methoxy-N,4-dimethylbenzamide is COc1cc(C(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)ccc1C.
What is the InChIKey of N-[(1R)-1-(3-benzamidophenyl)ethyl]-3-methoxy-N,4-dimethylbenzamide?
The InChIKey is OLYWNOINJDWXDA-GOSISDBHSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-17-13-14-21(16-23(17)30-4)25(29)27(3)18(2)20-11-8-12-22(15-20)26-24(28)19-9-6-5-7-10-19/h5-16,18H,1-4H3,(H,26,28)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(3-benzamidophenyl)ethyl]-3-methoxy-N,4-dimethylbenzamide?
N-[(1R)-1-(3-benzamidophenyl)ethyl]-3-methoxy-N,4-dimethylbenzamide has a molecular weight of 402.49 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-benzamidophenyl)ethyl]-3-methoxy-N,4-dimethylbenzamide is sourced from PubChem (CID 31870263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).