3-amino-N-(3-methyl-1-phenylbutyl)benzamide;hydrochloride

C18H23ClN2O — CID 119689331

IUPAC3-amino-N-(3-methyl-1-phenylbutyl)benzamide;hydrochloride
SMILESCC(C)CC(NC(=O)c1cccc(N)c1)c1ccccc1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-13(2)11-17(14-7-4-3-5-8-14)20-18(21)15-9-6-10-16(19)12-15;/h3-10,12-13,17H,11,19H2,1-2H3,(H,20,21);1H
InChIKeyQHYDXAYOSXQRJZ-UHFFFAOYSA-N
MW318.85 g/mol
LogP4.21
Rot. Bonds5

About 3-amino-N-(3-methyl-1-phenylbutyl)benzamide;hydrochloride

3-amino-N-(3-methyl-1-phenylbutyl)benzamide;hydrochloride (PubChem CID 119689331) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is 3-amino-N-(3-methyl-1-phenylbutyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3-methyl-1-phenylbutyl)benzamide;hydrochloride
PubChem CID119689331
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC Name3-amino-N-(3-methyl-1-phenylbutyl)benzamide;hydrochloride
SMILESCC(C)CC(NC(=O)c1cccc(N)c1)c1ccccc1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-13(2)11-17(14-7-4-3-5-8-14)20-18(21)15-9-6-10-16(19)12-15;/h3-10,12-13,17H,11,19H2,1-2H3,(H,20,21);1H
InChIKeyQHYDXAYOSXQRJZ-UHFFFAOYSA-N
XLogP4.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 54.21
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
4-amino-N-(3-methyl-1-phenylbutyl)benzamide
CID 43707132
3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide
CID 133160183
methyl (2S)-2-[(3-aminobenzoyl)amino]-4-methylpentanoate
CID 59948585
3-amino-N-[(3S)-5-methyl-2-oxohexan-3-yl]benzamide
CID 163583328
methyl 2-[(3-aminobenzoyl)amino]-4-methylpentanoate
CID 20624047
3-amino-N-(2,2-dimethyl-1-phenylpropyl)benzamide
CID 43705350
7-[(3-methyl-1-phenylbutyl)carbamoyl]naphthalene-1-carboxylic acid
CID 23017167
N-[1-(3-aminophenyl)ethyl]benzamide
CID 43297605
3-(cyclopropylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46570374
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
4-acetamido-N-(3-methyl-1-phenylbutyl)benzamide
CID 78799180

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methyl-1-phenylbutyl)benzamide;hydrochloride?
The IUPAC name of 3-amino-N-(3-methyl-1-phenylbutyl)benzamide;hydrochloride (CID 119689331) is 3-amino-N-(3-methyl-1-phenylbutyl)benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3-methyl-1-phenylbutyl)benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3-methyl-1-phenylbutyl)benzamide;hydrochloride is CC(C)CC(NC(=O)c1cccc(N)c1)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-(3-methyl-1-phenylbutyl)benzamide;hydrochloride?
The InChIKey is QHYDXAYOSXQRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O.ClH/c1-13(2)11-17(14-7-4-3-5-8-14)20-18(21)15-9-6-10-16(19)12-15;/h3-10,12-13,17H,11,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 3-amino-N-(3-methyl-1-phenylbutyl)benzamide;hydrochloride?
3-amino-N-(3-methyl-1-phenylbutyl)benzamide;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methyl-1-phenylbutyl)benzamide;hydrochloride is sourced from PubChem (CID 119689331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).