4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride

C18H23ClN2O — CID 119271718

IUPAC4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride
SMILESCCC(CNC(=O)c1ccc(CN)cc1)c1ccccc1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-2-15(16-6-4-3-5-7-16)13-20-18(21)17-10-8-14(12-19)9-11-17;/h3-11,15H,2,12-13,19H2,1H3,(H,20,21);1H
InChIKeyZOWPORIDOCEINH-UHFFFAOYSA-N
MW318.85 g/mol
LogP3.49
Rot. Bonds6

About 4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride

4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride (PubChem CID 119271718) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride
PubChem CID119271718
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC Name4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride
SMILESCCC(CNC(=O)c1ccc(CN)cc1)c1ccccc1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-2-15(16-6-4-3-5-7-16)13-20-18(21)17-10-8-14(12-19)9-11-17;/h3-11,15H,2,12-13,19H2,1H3,(H,20,21);1H
InChIKeyZOWPORIDOCEINH-UHFFFAOYSA-N
XLogP3.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(2-phenylbutyl)benzamide
CID 52988708
4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide
CID 35625599
4-(methylsulfonylmethyl)-N-(2-phenylbutyl)benzamide
CID 51190386
4-ethoxy-N-(2-phenylbutyl)benzamide
CID 17462842
(2S)-2-amino-3-[4-[2-(4-phenylphenyl)butylcarbamoyl]phenyl]propanoic acid
CID 121454841
1-oxido-N-(2-phenylbutyl)pyridin-1-ium-4-carboxamide
CID 47110917
4-(methanesulfonamido)-N-(2-phenylbutyl)benzamide
CID 46510116
3,4-difluoro-N-(2-phenylbutyl)benzamide
CID 43016062
2-phenylbutylurea
CID 137320233
4-(diethylsulfamoyl)-N-(2-phenylbutyl)benzamide
CID 43016057
4-(1,3-dithiolan-2-yl)-N-[(2R)-2-phenylbutyl]benzamide
CID 26702921
N-(2-phenylbutyl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 55607000

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride (CID 119271718) is 4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride is CCC(CNC(=O)c1ccc(CN)cc1)c1ccccc1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride?
The InChIKey is ZOWPORIDOCEINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O.ClH/c1-2-15(16-6-4-3-5-7-16)13-20-18(21)17-10-8-14(12-19)9-11-17;/h3-11,15H,2,12-13,19H2,1H3,(H,20,21);1H.
What are the key properties of 4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride?
4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride is sourced from PubChem (CID 119271718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).