1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride

C16H25ClN2O2 — CID 119280469

IUPAC1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)Oc1ccc(NC(=O)C2(N)CCCCC2)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(2)20-14-8-6-13(7-9-14)18-15(19)16(17)10-4-3-5-11-16;/h6-9,12H,3-5,10-11,17H2,1-2H3,(H,18,19);1H
InChIKeyVXKVZGQZBXISPL-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.50
Rot. Bonds4

About 1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride

1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119280469) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119280469
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)Oc1ccc(NC(=O)C2(N)CCCCC2)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(2)20-14-8-6-13(7-9-14)18-15(19)16(17)10-4-3-5-11-16;/h6-9,12H,3-5,10-11,17H2,1-2H3,(H,18,19);1H
InChIKeyVXKVZGQZBXISPL-UHFFFAOYSA-N
XLogP3.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119261942
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methyl 2-[4-[(1-aminocyclopentanecarbonyl)amino]phenoxy]acetate;hydrochloride
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1-(azepane-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride (CID 119280469) is 1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride is CC(C)Oc1ccc(NC(=O)C2(N)CCCCC2)cc1.Cl.
What is the InChIKey of 1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is VXKVZGQZBXISPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-12(2)20-14-8-6-13(7-9-14)18-15(19)16(17)10-4-3-5-11-16;/h6-9,12H,3-5,10-11,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119280469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).