3-amino-N-methyl-N-(4-phenylbutyl)benzamide;hydrochloride

C18H23ClN2O — CID 119733712

IUPAC3-amino-N-methyl-N-(4-phenylbutyl)benzamide;hydrochloride
SMILESCN(CCCCc1ccccc1)C(=O)c1cccc(N)c1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-20(18(21)16-11-7-12-17(19)14-16)13-6-5-10-15-8-3-2-4-9-15;/h2-4,7-9,11-12,14H,5-6,10,13,19H2,1H3;1H
InChIKeyZSDHVXMHEXPFFF-UHFFFAOYSA-N
MW318.85 g/mol
LogP3.79
Rot. Bonds6

About 3-amino-N-methyl-N-(4-phenylbutyl)benzamide;hydrochloride

3-amino-N-methyl-N-(4-phenylbutyl)benzamide;hydrochloride (PubChem CID 119733712) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(4-phenylbutyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-N-(4-phenylbutyl)benzamide;hydrochloride
PubChem CID119733712
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC Name3-amino-N-methyl-N-(4-phenylbutyl)benzamide;hydrochloride
SMILESCN(CCCCc1ccccc1)C(=O)c1cccc(N)c1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-20(18(21)16-11-7-12-17(19)14-16)13-6-5-10-15-8-3-2-4-9-15;/h2-4,7-9,11-12,14H,5-6,10,13,19H2,1H3;1H
InChIKeyZSDHVXMHEXPFFF-UHFFFAOYSA-N
XLogP3.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylbenzamide;hydrochloride
CID 119739240
3-amino-N-methyl-N-propylbenzamide
CID 43270761
3-amino-N-(4-phenylbutyl)benzamide;hydrochloride
CID 19353694
2-(3-aminophenyl)-N-methyl-N-(3-phenylpropyl)acetamide
CID 62498844
3-[methyl(2-phenylethyl)carbamoyl]benzoic acid
CID 65487165
3-N-methyl-3-N-(4-phenylbutyl)benzene-1,3-diamine
CID 114333894
3-amino-N,N-bis[3-(dimethylamino)propyl]benzamide
CID 11404016
2-amino-N-methyl-N-(4-phenylbutyl)acetamide
CID 60946836
3-amino-N-[3-[benzyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119835670
3-amino-N,N-didecylbenzamide
CID 19389018
N-(4-aminobutyl)-N-methylbenzamide
CID 119088367
3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
CID 54916014

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(4-phenylbutyl)benzamide;hydrochloride?
The IUPAC name of 3-amino-N-methyl-N-(4-phenylbutyl)benzamide;hydrochloride (CID 119733712) is 3-amino-N-methyl-N-(4-phenylbutyl)benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-methyl-N-(4-phenylbutyl)benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-methyl-N-(4-phenylbutyl)benzamide;hydrochloride is CN(CCCCc1ccccc1)C(=O)c1cccc(N)c1.Cl.
What is the InChIKey of 3-amino-N-methyl-N-(4-phenylbutyl)benzamide;hydrochloride?
The InChIKey is ZSDHVXMHEXPFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O.ClH/c1-20(18(21)16-11-7-12-17(19)14-16)13-6-5-10-15-8-3-2-4-9-15;/h2-4,7-9,11-12,14H,5-6,10,13,19H2,1H3;1H.
What are the key properties of 3-amino-N-methyl-N-(4-phenylbutyl)benzamide;hydrochloride?
3-amino-N-methyl-N-(4-phenylbutyl)benzamide;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(4-phenylbutyl)benzamide;hydrochloride is sourced from PubChem (CID 119733712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).