N-(2-amino-2-oxo-1-phenylethyl)-3-(3-chloro-4-methoxyphenyl)propanamide

C18H19ClN2O3 — CID 56810885

IUPACN-(2-amino-2-oxo-1-phenylethyl)-3-(3-chloro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC(C(N)=O)c2ccccc2)cc1Cl
InChIInChI=1S/C18H19ClN2O3/c1-24-15-9-7-12(11-14(15)19)8-10-16(22)21-17(18(20)23)13-5-3-2-4-6-13/h2-7,9,11,17H,8,10H2,1H3,(H2,20,23)(H,21,22)
InChIKeyVJXHTNHTFNLIIN-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.62
Rot. Bonds7

About N-(2-amino-2-oxo-1-phenylethyl)-3-(3-chloro-4-methoxyphenyl)propanamide

N-(2-amino-2-oxo-1-phenylethyl)-3-(3-chloro-4-methoxyphenyl)propanamide (PubChem CID 56810885) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)-3-(3-chloro-4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-phenylethyl)-3-(3-chloro-4-methoxyphenyl)propanamide
PubChem CID56810885
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-(2-amino-2-oxo-1-phenylethyl)-3-(3-chloro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC(C(N)=O)c2ccccc2)cc1Cl
InChIInChI=1S/C18H19ClN2O3/c1-24-15-9-7-12(11-14(15)19)8-10-16(22)21-17(18(20)23)13-5-3-2-4-6-13/h2-7,9,11,17H,8,10H2,1H3,(H2,20,23)(H,21,22)
InChIKeyVJXHTNHTFNLIIN-UHFFFAOYSA-N
XLogP2.62
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 51492377
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51315396
(2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119367699
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-phenylpropanamide
CID 94514836
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methylphenyl)propanamide
CID 51315397
2-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-4-methoxybutanoic acid
CID 120703142
(3S)-3-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-phenylpropanoic acid
CID 51519338
3-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-phenylpropanoic acid
CID 45461382
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluorophenyl)propanamide
CID 134026833
3-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)-phenylmethyl]propanamide
CID 132763053
(2R)-2-phenyl-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]acetic acid
CID 119367644
2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119113378

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-3-(3-chloro-4-methoxyphenyl)propanamide?
The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-3-(3-chloro-4-methoxyphenyl)propanamide (CID 56810885) is N-(2-amino-2-oxo-1-phenylethyl)-3-(3-chloro-4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)-3-(3-chloro-4-methoxyphenyl)propanamide?
The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)-3-(3-chloro-4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NC(C(N)=O)c2ccccc2)cc1Cl.
What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)-3-(3-chloro-4-methoxyphenyl)propanamide?
The InChIKey is VJXHTNHTFNLIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-24-15-9-7-12(11-14(15)19)8-10-16(22)21-17(18(20)23)13-5-3-2-4-6-13/h2-7,9,11,17H,8,10H2,1H3,(H2,20,23)(H,21,22).
What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)-3-(3-chloro-4-methoxyphenyl)propanamide?
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-chloro-4-methoxyphenyl)propanamide has a molecular weight of 346.81 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-phenylethyl)-3-(3-chloro-4-methoxyphenyl)propanamide is sourced from PubChem (CID 56810885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).