(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-4-methylpentanamide

C15H23N3O2 — CID 104903275

IUPAC(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-4-methylpentanamide
SMILESCC(=O)Nc1ccc(CNC(=O)[C@H](N)CC(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-10(2)8-14(16)15(20)17-9-12-4-6-13(7-5-12)18-11(3)19/h4-7,10,14H,8-9,16H2,1-3H3,(H,17,20)(H,18,19)/t14-/m1/s1
InChIKeyNBDMGVIWGBEFJY-CQSZACIVSA-N
MW277.37 g/mol
LogP1.63
Rot. Bonds6

About (2R)-N-[(4-acetamidophenyl)methyl]-2-amino-4-methylpentanamide

(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-4-methylpentanamide (PubChem CID 104903275) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2R)-N-[(4-acetamidophenyl)methyl]-2-amino-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-4-methylpentanamide
PubChem CID104903275
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-4-methylpentanamide
SMILESCC(=O)Nc1ccc(CNC(=O)[C@H](N)CC(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-10(2)8-14(16)15(20)17-9-12-4-6-13(7-5-12)18-11(3)19/h4-7,10,14H,8-9,16H2,1-3H3,(H,17,20)(H,18,19)/t14-/m1/s1
InChIKeyNBDMGVIWGBEFJY-CQSZACIVSA-N
XLogP1.63
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-(4-acetamidophenyl)ethyl]-2-amino-4-methylpentanamide
CID 119755566
(2S)-2-amino-N-[[4-(butanoylamino)phenyl]methyl]-4-methylpentanamide
CID 119723638
(2S)-N-[(4-acetamidophenyl)methyl]-2-aminopropanamide
CID 78969011
(2S)-2-amino-N-[[4-(butanoylamino)phenyl]methyl]-4-methylpentanamide;hydrochloride
CID 119723637
(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-3-methylbutanamide
CID 79012217
2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide
CID 60731482
(2S)-2-amino-N-[(4-tert-butylphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119707445
2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 43107780
N-[(4-acetamidophenyl)methyl]-2-bromo-3-methylbutanamide
CID 43168094
(2S)-2-amino-N-[(4-cyanophenyl)methyl]-4-methylpentanamide
CID 61177955
(2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 103630266
4-[(4-acetamidophenyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496555

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-acetamidophenyl)methyl]-2-amino-4-methylpentanamide?
The IUPAC name of (2R)-N-[(4-acetamidophenyl)methyl]-2-amino-4-methylpentanamide (CID 104903275) is (2R)-N-[(4-acetamidophenyl)methyl]-2-amino-4-methylpentanamide.
What is the SMILES notation for (2R)-N-[(4-acetamidophenyl)methyl]-2-amino-4-methylpentanamide?
The canonical SMILES for (2R)-N-[(4-acetamidophenyl)methyl]-2-amino-4-methylpentanamide is CC(=O)Nc1ccc(CNC(=O)[C@H](N)CC(C)C)cc1.
What is the InChIKey of (2R)-N-[(4-acetamidophenyl)methyl]-2-amino-4-methylpentanamide?
The InChIKey is NBDMGVIWGBEFJY-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(2)8-14(16)15(20)17-9-12-4-6-13(7-5-12)18-11(3)19/h4-7,10,14H,8-9,16H2,1-3H3,(H,17,20)(H,18,19)/t14-/m1/s1.
What are the key properties of (2R)-N-[(4-acetamidophenyl)methyl]-2-amino-4-methylpentanamide?
(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-4-methylpentanamide has a molecular weight of 277.37 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-acetamidophenyl)methyl]-2-amino-4-methylpentanamide is sourced from PubChem (CID 104903275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).