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

C13H18N2O2 — CID 80543884

IUPACN-(4-acetylphenyl)-4-amino-2-methylbutanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)CCN)cc1
InChIInChI=1S/C13H18N2O2/c1-9(7-8-14)13(17)15-12-5-3-11(4-6-12)10(2)16/h3-6,9H,7-8,14H2,1-2H3,(H,15,17)
InChIKeyLRYDXOCFIXKWRA-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.81
Rot. Bonds5

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

N-(4-acetylphenyl)-4-amino-2-methylbutanamide (PubChem CID 80543884) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-amino-2-methylbutanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-amino-2-methylbutanamide
PubChem CID80543884
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(4-acetylphenyl)-4-amino-2-methylbutanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)CCN)cc1
InChIInChI=1S/C13H18N2O2/c1-9(7-8-14)13(17)15-12-5-3-11(4-6-12)10(2)16/h3-6,9H,7-8,14H2,1-2H3,(H,15,17)
InChIKeyLRYDXOCFIXKWRA-UHFFFAOYSA-N
XLogP1.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-4-amino-2-methylbutanamide
CID 80542104
N-(4-acetylphenyl)-2-(2-aminoethyl)-3-methylbutanamide
CID 112516969
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-(trifluoromethyl)phenyl]butanamide
CID 80542056
4-amino-2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]butanamide
CID 80543411
4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide
CID 80542126
4-amino-2-methyl-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 80542754
4-amino-2-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 80542337
4-[(3-amino-2-methylpropanoyl)amino]benzoic acid
CID 62669470
[amino-[4-(2-methylpentanoylamino)phenyl]methylidene]azanium
CID 21349582
4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide
CID 80543505

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-amino-2-methylbutanamide?
The IUPAC name of N-(4-acetylphenyl)-4-amino-2-methylbutanamide (CID 80543884) is N-(4-acetylphenyl)-4-amino-2-methylbutanamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-amino-2-methylbutanamide?
The canonical SMILES for N-(4-acetylphenyl)-4-amino-2-methylbutanamide is CC(=O)c1ccc(NC(=O)C(C)CCN)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-amino-2-methylbutanamide?
The InChIKey is LRYDXOCFIXKWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(7-8-14)13(17)15-12-5-3-11(4-6-12)10(2)16/h3-6,9H,7-8,14H2,1-2H3,(H,15,17).
What are the key properties of N-(4-acetylphenyl)-4-amino-2-methylbutanamide?
N-(4-acetylphenyl)-4-amino-2-methylbutanamide has a molecular weight of 234.30 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-amino-2-methylbutanamide is sourced from PubChem (CID 80543884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).