N-(3-amino-2-methylpropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride

C17H27ClN2O — CID 119996102

IUPACN-(3-amino-2-methylpropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
SMILESCC(CN)CNC(=O)C1CCC(c2ccccc2)CC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-13(11-18)12-19-17(20)16-9-7-15(8-10-16)14-5-3-2-4-6-14;/h2-6,13,15-16H,7-12,18H2,1H3,(H,19,20);1H
InChIKeyQPJFJZBNKOQNFM-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.09
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride

N-(3-amino-2-methylpropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 119996102) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
PubChem CID119996102
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-(3-amino-2-methylpropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
SMILESCC(CN)CNC(=O)C1CCC(c2ccccc2)CC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-13(11-18)12-19-17(20)16-9-7-15(8-10-16)14-5-3-2-4-6-14;/h2-6,13,15-16H,7-12,18H2,1H3,(H,19,20);1H
InChIKeyQPJFJZBNKOQNFM-UHFFFAOYSA-N
XLogP3.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119406896
N-(2-amino-1-cyclopropylethyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119615242
3-[(4-phenylcyclohexanecarbonyl)amino]butanoic acid
CID 119221631
2-[(4-phenylcyclohexanecarbonyl)amino]propanoic acid
CID 119225869
N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119607229
N-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 119995540
N-[2-[(4-phenylcyclohexyl)amino]ethyl]cyclopropanecarboxamide
CID 115572811
2-cyclopropyl-2-[(4-phenylcyclohexanecarbonyl)amino]acetic acid
CID 119214109
N-(3-amino-2-methylpropyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395688
N-(3-amino-2-methylpropyl)-3,4-dihydro-2H-chromene-4-carboxamide;hydrochloride
CID 119996124
1-(4-phenylcyclohexyl)propan-1-one
CID 13042788
4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclohexane-1-carboxamide
CID 120811457

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride (CID 119996102) is N-(3-amino-2-methylpropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride is CC(CN)CNC(=O)C1CCC(c2ccccc2)CC1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is QPJFJZBNKOQNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-13(11-18)12-19-17(20)16-9-7-15(8-10-16)14-5-3-2-4-6-14;/h2-6,13,15-16H,7-12,18H2,1H3,(H,19,20);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride?
N-(3-amino-2-methylpropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119996102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).