N-(4-acetamidophenyl)-4-amino-2-methylbutanamide

C13H19N3O2 — CID 80542104

IUPACN-(4-acetamidophenyl)-4-amino-2-methylbutanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)CCN)cc1
InChIInChI=1S/C13H19N3O2/c1-9(7-8-14)13(18)16-12-5-3-11(4-6-12)15-10(2)17/h3-6,9H,7-8,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyRPJVNPPRTIXLOU-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.57
Rot. Bonds5

About N-(4-acetamidophenyl)-4-amino-2-methylbutanamide

N-(4-acetamidophenyl)-4-amino-2-methylbutanamide (PubChem CID 80542104) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-amino-2-methylbutanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-amino-2-methylbutanamide
PubChem CID80542104
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(4-acetamidophenyl)-4-amino-2-methylbutanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)CCN)cc1
InChIInChI=1S/C13H19N3O2/c1-9(7-8-14)13(18)16-12-5-3-11(4-6-12)15-10(2)17/h3-6,9H,7-8,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyRPJVNPPRTIXLOU-UHFFFAOYSA-N
XLogP1.57
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-4-amino-2-methylbutanamide
CID 80543884
(2S)-N-(4-acetamidophenyl)-2-methylpentanamide
CID 670216
4-amino-2-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
CID 80542056
4-amino-2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]butanamide
CID 80543411
(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961
4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide
CID 80542126
4-amino-2-methyl-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 80542754
propan-2-yl 4-[(4-amino-2-methylbutanoyl)amino]benzoate
CID 80543550
4-[(4-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide
CID 80542029
4-amino-2-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 80542337
4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide
CID 80543505
(2S)-4-amino-N-(4-chloro-3-methylphenyl)-2-methylbutanamide
CID 170264446

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-amino-2-methylbutanamide?
The IUPAC name of N-(4-acetamidophenyl)-4-amino-2-methylbutanamide (CID 80542104) is N-(4-acetamidophenyl)-4-amino-2-methylbutanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-amino-2-methylbutanamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-amino-2-methylbutanamide is CC(=O)Nc1ccc(NC(=O)C(C)CCN)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-amino-2-methylbutanamide?
The InChIKey is RPJVNPPRTIXLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(7-8-14)13(18)16-12-5-3-11(4-6-12)15-10(2)17/h3-6,9H,7-8,14H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(4-acetamidophenyl)-4-amino-2-methylbutanamide?
N-(4-acetamidophenyl)-4-amino-2-methylbutanamide has a molecular weight of 249.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-amino-2-methylbutanamide is sourced from PubChem (CID 80542104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).