(2S)-2-(3-acetylanilino)-N-[(4-methylphenyl)methyl]propanamide

C19H22N2O2 — CID 35996003

IUPAC(2S)-2-(3-acetylanilino)-N-[(4-methylphenyl)methyl]propanamide
SMILESCC(=O)c1cccc(N[C@@H](C)C(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C19H22N2O2/c1-13-7-9-16(10-8-13)12-20-19(23)14(2)21-18-6-4-5-17(11-18)15(3)22/h4-11,14,21H,12H2,1-3H3,(H,20,23)/t14-/m0/s1
InChIKeyGANIORILMWZEES-AWEZNQCLSA-N
MW310.40 g/mol
LogP3.31
Rot. Bonds6

About (2S)-2-(3-acetylanilino)-N-[(4-methylphenyl)methyl]propanamide

(2S)-2-(3-acetylanilino)-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 35996003) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2S)-2-(3-acetylanilino)-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-acetylanilino)-N-[(4-methylphenyl)methyl]propanamide
PubChem CID35996003
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(2S)-2-(3-acetylanilino)-N-[(4-methylphenyl)methyl]propanamide
SMILESCC(=O)c1cccc(N[C@@H](C)C(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C19H22N2O2/c1-13-7-9-16(10-8-13)12-20-19(23)14(2)21-18-6-4-5-17(11-18)15(3)22/h4-11,14,21H,12H2,1-3H3,(H,20,23)/t14-/m0/s1
InChIKeyGANIORILMWZEES-AWEZNQCLSA-N
XLogP3.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-methylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 51925493
(2S)-N-[(4-methylphenyl)methyl]-2-(3-nitroanilino)propanamide
CID 9274324
N-[(4-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 51248710
(2S)-2-(3-acetylanilino)propanoic acid
CID 121364926
N-(3-acetylphenyl)-2-(4-propylanilino)propanamide
CID 112768823
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 25360569
(2R)-2-anilino-N-[(4-chlorophenyl)methyl]propanamide
CID 25346914
3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
CID 103603772
4-[2-(3-acetylanilino)propanoylamino]benzamide
CID 46667199
N-(3-acetylphenyl)-3-(4-methylphenyl)propanamide
CID 17360048
(2S)-2-(3-methylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 94821156
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-acetamidobenzoate
CID 2582048

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-acetylanilino)-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-(3-acetylanilino)-N-[(4-methylphenyl)methyl]propanamide (CID 35996003) is (2S)-2-(3-acetylanilino)-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(3-acetylanilino)-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-(3-acetylanilino)-N-[(4-methylphenyl)methyl]propanamide is CC(=O)c1cccc(N[C@@H](C)C(=O)NCc2ccc(C)cc2)c1.
What is the InChIKey of (2S)-2-(3-acetylanilino)-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is GANIORILMWZEES-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13-7-9-16(10-8-13)12-20-19(23)14(2)21-18-6-4-5-17(11-18)15(3)22/h4-11,14,21H,12H2,1-3H3,(H,20,23)/t14-/m0/s1.
What are the key properties of (2S)-2-(3-acetylanilino)-N-[(4-methylphenyl)methyl]propanamide?
(2S)-2-(3-acetylanilino)-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 310.40 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-acetylanilino)-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 35996003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).