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

C15H23N3O2 — CID 61258515

IUPACN-[(4-acetamidophenyl)methyl]-2-amino-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H23N3O2/c1-4-9-15(3,16)14(20)17-10-12-5-7-13(8-6-12)18-11(2)19/h5-8H,4,9-10,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyWZJFUYUVDDGYAK-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.78
Rot. Bonds6

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

N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpentanamide (PubChem CID 61258515) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpentanamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-2-amino-2-methylpentanamide
PubChem CID61258515
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[(4-acetamidophenyl)methyl]-2-amino-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H23N3O2/c1-4-9-15(3,16)14(20)17-10-12-5-7-13(8-6-12)18-11(2)19/h5-8H,4,9-10,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyWZJFUYUVDDGYAK-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpropanamide
CID 61267036
2-amino-N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride
CID 119718156
2-amino-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61259411
2-amino-N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpentanamide;hydrochloride
CID 119792370
2-amino-N-(4-butylphenyl)-2-methylpentanamide
CID 54928789
4-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61156660
2-amino-2-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 60848389
2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride
CID 119775504
methyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate
CID 60848240
2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride
CID 119735835
2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
CID 60848568
N-(5-acetamido-2-chlorophenyl)-2-amino-2-methylpentanamide;hydrochloride
CID 119707643

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpentanamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpentanamide (CID 61258515) is N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpentanamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpentanamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpentanamide is CCCC(C)(N)C(=O)NCc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpentanamide?
The InChIKey is WZJFUYUVDDGYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-9-15(3,16)14(20)17-10-12-5-7-13(8-6-12)18-11(2)19/h5-8H,4,9-10,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpentanamide?
N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpentanamide has a molecular weight of 277.37 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpentanamide is sourced from PubChem (CID 61258515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).