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

C19H29ClN2O — CID 119285410

IUPAC1-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NC2CCC(c3ccccc3)CC2)CCCCC1
InChIInChI=1S/C19H28N2O.ClH/c20-19(13-5-2-6-14-19)18(22)21-17-11-9-16(10-12-17)15-7-3-1-4-8-15;/h1,3-4,7-8,16-17H,2,5-6,9-14,20H2,(H,21,22);1H
InChIKeyWGZFEXPPDUZSAA-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.91
Rot. Bonds3

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

1-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119285410) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is 1-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119285410
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name1-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NC2CCC(c3ccccc3)CC2)CCCCC1
InChIInChI=1S/C19H28N2O.ClH/c20-19(13-5-2-6-14-19)18(22)21-17-11-9-16(10-12-17)15-7-3-1-4-8-15;/h1,3-4,7-8,16-17H,2,5-6,9-14,20H2,(H,21,22);1H
InChIKeyWGZFEXPPDUZSAA-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide
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1-amino-N-(4-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
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1-amino-N-(4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide
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(1-aminocyclopentyl)-(4-phenylazepan-1-yl)methanone;hydrochloride
CID 119316131
1-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119295785
1-amino-N-(2-phenylcyclopentyl)cyclopropane-1-carboxamide
CID 119783047
1-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
CID 43697767
4-(methylamino)-N-(4-phenylcyclohexyl)butanamide;hydrochloride
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3-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119716211
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CID 119827542

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride (CID 119285410) is 1-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)NC2CCC(c3ccccc3)CC2)CCCCC1.
What is the InChIKey of 1-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is WGZFEXPPDUZSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c20-19(13-5-2-6-14-19)18(22)21-17-11-9-16(10-12-17)15-7-3-1-4-8-15;/h1,3-4,7-8,16-17H,2,5-6,9-14,20H2,(H,21,22);1H.
What are the key properties of 1-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119285410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).