4-amino-N-(3-methyl-1-phenylbutyl)benzamide

C18H22N2O — CID 43707132

IUPAC4-amino-N-(3-methyl-1-phenylbutyl)benzamide
SMILESCC(C)CC(NC(=O)c1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-13(2)12-17(14-6-4-3-5-7-14)20-18(21)15-8-10-16(19)11-9-15/h3-11,13,17H,12,19H2,1-2H3,(H,20,21)
InChIKeyOUHKJCQNUZEEBP-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.79
Rot. Bonds5

About 4-amino-N-(3-methyl-1-phenylbutyl)benzamide

4-amino-N-(3-methyl-1-phenylbutyl)benzamide (PubChem CID 43707132) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-amino-N-(3-methyl-1-phenylbutyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(3-methyl-1-phenylbutyl)benzamide
PubChem CID43707132
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-amino-N-(3-methyl-1-phenylbutyl)benzamide
SMILESCC(C)CC(NC(=O)c1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-13(2)12-17(14-6-4-3-5-7-14)20-18(21)15-8-10-16(19)11-9-15/h3-11,13,17H,12,19H2,1-2H3,(H,20,21)
InChIKeyOUHKJCQNUZEEBP-UHFFFAOYSA-N
XLogP3.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
3-amino-N-(3-methyl-1-phenylbutyl)benzamide;hydrochloride
CID 119689331
4-acetamido-N-(3-methyl-1-phenylbutyl)benzamide
CID 78799180
3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide
CID 133160183
N-[(1S)-3-methyl-1-phenylbutyl]-4-(phenylsulfanylmethyl)benzamide
CID 28577439
4-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46568364
N-(3-methyl-1-phenylbutyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 46568326
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
(2R)-2-[(4-aminobenzoyl)amino]-4-methylpentanoic acid
CID 78975427
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920
N-[(1S)-3-methyl-1-phenylbutyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 30387379

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methyl-1-phenylbutyl)benzamide?
The IUPAC name of 4-amino-N-(3-methyl-1-phenylbutyl)benzamide (CID 43707132) is 4-amino-N-(3-methyl-1-phenylbutyl)benzamide.
What is the SMILES notation for 4-amino-N-(3-methyl-1-phenylbutyl)benzamide?
The canonical SMILES for 4-amino-N-(3-methyl-1-phenylbutyl)benzamide is CC(C)CC(NC(=O)c1ccc(N)cc1)c1ccccc1.
What is the InChIKey of 4-amino-N-(3-methyl-1-phenylbutyl)benzamide?
The InChIKey is OUHKJCQNUZEEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(2)12-17(14-6-4-3-5-7-14)20-18(21)15-8-10-16(19)11-9-15/h3-11,13,17H,12,19H2,1-2H3,(H,20,21).
What are the key properties of 4-amino-N-(3-methyl-1-phenylbutyl)benzamide?
4-amino-N-(3-methyl-1-phenylbutyl)benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methyl-1-phenylbutyl)benzamide is sourced from PubChem (CID 43707132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).