N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methylphenyl)propanamide

C18H20N2O2 — CID 51315397

IUPACN-(2-amino-2-oxo-1-phenylethyl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NC(C(N)=O)c2ccccc2)c1
InChIInChI=1S/C18H20N2O2/c1-13-6-5-7-14(12-13)10-11-16(21)20-17(18(19)22)15-8-3-2-4-9-15/h2-9,12,17H,10-11H2,1H3,(H2,19,22)(H,20,21)
InChIKeyWZLWKKWYYLTVLC-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.27
Rot. Bonds6

About N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methylphenyl)propanamide

N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methylphenyl)propanamide (PubChem CID 51315397) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-phenylethyl)-3-(3-methylphenyl)propanamide
PubChem CID51315397
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(2-amino-2-oxo-1-phenylethyl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NC(C(N)=O)c2ccccc2)c1
InChIInChI=1S/C18H20N2O2/c1-13-6-5-7-14(12-13)10-11-16(21)20-17(18(19)22)15-8-3-2-4-9-15/h2-9,12,17H,10-11H2,1H3,(H2,19,22)(H,20,21)
InChIKeyWZLWKKWYYLTVLC-UHFFFAOYSA-N
XLogP2.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-phenylpropanamide
CID 94514836
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluorophenyl)propanamide
CID 134026833
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(3-methylphenyl)acetamide
CID 62388540
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 51492377
N-(2-chloro-1-phenylethyl)-3-(3-methylphenyl)propanamide
CID 114300070
2-[[2-(3-methylphenoxy)acetyl]amino]-2-phenylacetamide
CID 47017240
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
N-(2-amino-2-oxo-1-phenylethyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 51315387
N-(2-bromo-2-phenylethyl)-3-(3-methylphenyl)propanamide
CID 114308268
N-(1-aminobutan-2-yl)-3-(3-methylphenyl)propanamide
CID 63754828
2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 51289830

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methylphenyl)propanamide?
The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methylphenyl)propanamide (CID 51315397) is N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)NC(C(N)=O)c2ccccc2)c1.
What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methylphenyl)propanamide?
The InChIKey is WZLWKKWYYLTVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-6-5-7-14(12-13)10-11-16(21)20-17(18(19)22)15-8-3-2-4-9-15/h2-9,12,17H,10-11H2,1H3,(H2,19,22)(H,20,21).
What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methylphenyl)propanamide?
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methylphenyl)propanamide has a molecular weight of 296.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 51315397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).