3-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride

C19H29ClN2O — CID 119716211

IUPAC3-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)NC2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C19H28N2O.ClH/c20-17-8-4-7-16(13-17)19(22)21-18-11-9-15(10-12-18)14-5-2-1-3-6-14;/h1-3,5-6,15-18H,4,7-13,20H2,(H,21,22);1H
InChIKeyKMLVFPSTSGONFC-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.77
Rot. Bonds3

About 3-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride

3-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119716211) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is 3-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119716211
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name3-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)NC2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C19H28N2O.ClH/c20-17-8-4-7-16(13-17)19(22)21-18-11-9-15(10-12-18)14-5-2-1-3-6-14;/h1-3,5-6,15-18H,4,7-13,20H2,(H,21,22);1H
InChIKeyKMLVFPSTSGONFC-UHFFFAOYSA-N
XLogP3.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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cis-(1R,3S)-N-cyclopropyl-3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
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3-amino-N-(2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
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3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide
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3-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride (CID 119716211) is 3-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)NC2CCC(c3ccccc3)CC2)C1.
What is the InChIKey of 3-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is KMLVFPSTSGONFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c20-17-8-4-7-16(13-17)19(22)21-18-11-9-15(10-12-18)14-5-2-1-3-6-14;/h1-3,5-6,15-18H,4,7-13,20H2,(H,21,22);1H.
What are the key properties of 3-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119716211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).