N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide

C19H22N2O4 — CID 51492377

IUPACN-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)N[C@@H](C(N)=O)c2ccccc2)cc1OC
InChIInChI=1S/C19H22N2O4/c1-24-15-10-8-13(12-16(15)25-2)9-11-17(22)21-18(19(20)23)14-6-4-3-5-7-14/h3-8,10,12,18H,9,11H2,1-2H3,(H2,20,23)(H,21,22)/t18-/m1/s1
InChIKeyCLJHTUGXONBTTL-GOSISDBHSA-N
MW342.40 g/mol
LogP1.98
Rot. Bonds8

About N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 51492377) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID51492377
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)N[C@@H](C(N)=O)c2ccccc2)cc1OC
InChIInChI=1S/C19H22N2O4/c1-24-15-10-8-13(12-16(15)25-2)9-11-17(22)21-18(19(20)23)14-6-4-3-5-7-14/h3-8,10,12,18H,9,11H2,1-2H3,(H2,20,23)(H,21,22)/t18-/m1/s1
InChIKeyCLJHTUGXONBTTL-GOSISDBHSA-N
XLogP1.98
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119367699
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51315396
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-chloro-4-methoxyphenyl)propanamide
CID 56810885
(3S)-3-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-phenylpropanoic acid
CID 51519338
3-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-phenylpropanoic acid
CID 45461382
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
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
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
2-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-methylpentanamide
CID 78773055
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluorophenyl)propanamide
CID 134026833

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide (CID 51492377) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide is COc1ccc(CCC(=O)N[C@@H](C(N)=O)c2ccccc2)cc1OC.
What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is CLJHTUGXONBTTL-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-24-15-10-8-13(12-16(15)25-2)9-11-17(22)21-18(19(20)23)14-6-4-3-5-7-14/h3-8,10,12,18H,9,11H2,1-2H3,(H2,20,23)(H,21,22)/t18-/m1/s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide?
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 342.40 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 51492377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).