N-(2-amino-2-methylpropyl)-4-cyclohexylbenzamide;hydrochloride

C17H27ClN2O — CID 119625808

IUPACN-(2-amino-2-methylpropyl)-4-cyclohexylbenzamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1ccc(C2CCCCC2)cc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-17(2,18)12-19-16(20)15-10-8-14(9-11-15)13-6-4-3-5-7-13;/h8-11,13H,3-7,12,18H2,1-2H3,(H,19,20);1H
InChIKeyACIBUDQIXWOWRV-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.62
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-4-cyclohexylbenzamide;hydrochloride

N-(2-amino-2-methylpropyl)-4-cyclohexylbenzamide;hydrochloride (PubChem CID 119625808) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-cyclohexylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-cyclohexylbenzamide;hydrochloride
PubChem CID119625808
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-(2-amino-2-methylpropyl)-4-cyclohexylbenzamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1ccc(C2CCCCC2)cc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-17(2,18)12-19-16(20)15-10-8-14(9-11-15)13-6-4-3-5-7-13;/h8-11,13H,3-7,12,18H2,1-2H3,(H,19,20);1H
InChIKeyACIBUDQIXWOWRV-UHFFFAOYSA-N
XLogP3.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclohexyl-N-(2,2,2-trifluoroethyl)benzamide
CID 8900200
ethyl 2-[(4-cyclohexylbenzoyl)amino]acetate
CID 60547206
methyl 2-[(4-cyclopentylbenzoyl)amino]acetate
CID 110487395
2-[(4-cyclohexylbenzoyl)amino]acetic acid
CID 82485147
4-cyclohexyl-N'-methylbenzohydrazide
CID 116846851
N-(3-amino-2-methylpropyl)-4-cyclohexylbenzamide
CID 119995934
4-cyclohexyl-N-[2-(ethylamino)ethyl]benzamide
CID 119504655
1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119630029
4-cyclohexyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 18162781
N-(2-amino-2-methylpropyl)-4-bromobenzamide
CID 81482664
N-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119627052
N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride
CID 119630213

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-cyclohexylbenzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-cyclohexylbenzamide;hydrochloride (CID 119625808) is N-(2-amino-2-methylpropyl)-4-cyclohexylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-cyclohexylbenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-cyclohexylbenzamide;hydrochloride is CC(C)(N)CNC(=O)c1ccc(C2CCCCC2)cc1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-cyclohexylbenzamide;hydrochloride?
The InChIKey is ACIBUDQIXWOWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-17(2,18)12-19-16(20)15-10-8-14(9-11-15)13-6-4-3-5-7-13;/h8-11,13H,3-7,12,18H2,1-2H3,(H,19,20);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-4-cyclohexylbenzamide;hydrochloride?
N-(2-amino-2-methylpropyl)-4-cyclohexylbenzamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-cyclohexylbenzamide;hydrochloride is sourced from PubChem (CID 119625808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).