1-(4-aminophenyl)-N-(2-cyclohexylethyl)cyclopropane-1-carboxamide

C18H26N2O — CID 115913423

IUPAC1-(4-aminophenyl)-N-(2-cyclohexylethyl)cyclopropane-1-carboxamide
SMILESNc1ccc(C2(C(=O)NCCC3CCCCC3)CC2)cc1
InChIInChI=1S/C18H26N2O/c19-16-8-6-15(7-9-16)18(11-12-18)17(21)20-13-10-14-4-2-1-3-5-14/h6-9,14H,1-5,10-13,19H2,(H,20,21)
InChIKeyAXOVDRRVXLMGOI-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.39
Rot. Bonds5

About 1-(4-aminophenyl)-N-(2-cyclohexylethyl)cyclopropane-1-carboxamide

1-(4-aminophenyl)-N-(2-cyclohexylethyl)cyclopropane-1-carboxamide (PubChem CID 115913423) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(2-cyclohexylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(2-cyclohexylethyl)cyclopropane-1-carboxamide
PubChem CID115913423
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-(4-aminophenyl)-N-(2-cyclohexylethyl)cyclopropane-1-carboxamide
SMILESNc1ccc(C2(C(=O)NCCC3CCCCC3)CC2)cc1
InChIInChI=1S/C18H26N2O/c19-16-8-6-15(7-9-16)18(11-12-18)17(21)20-13-10-14-4-2-1-3-5-14/h6-9,14H,1-5,10-13,19H2,(H,20,21)
InChIKeyAXOVDRRVXLMGOI-UHFFFAOYSA-N
XLogP3.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-N-[3-(methylamino)-3-oxopropyl]cyclopropane-1-carboxamide
CID 112558336
1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide
CID 112558265
1-(4-aminophenyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 112558134
1-amino-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide
CID 81179239
N-[2-(4-aminophenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 119549251
1-[[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115913873
1-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119534101
3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 115913793
1-(4-aminophenyl)-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide
CID 115913536
N-[2-(4-aminophenyl)ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119548194
2-(4-aminophenyl)-N-(3-cyclopentylpropyl)acetamide
CID 103630550
1-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide
CID 119558146

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(2-cyclohexylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-(2-cyclohexylethyl)cyclopropane-1-carboxamide (CID 115913423) is 1-(4-aminophenyl)-N-(2-cyclohexylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(2-cyclohexylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(2-cyclohexylethyl)cyclopropane-1-carboxamide is Nc1ccc(C2(C(=O)NCCC3CCCCC3)CC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-(2-cyclohexylethyl)cyclopropane-1-carboxamide?
The InChIKey is AXOVDRRVXLMGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c19-16-8-6-15(7-9-16)18(11-12-18)17(21)20-13-10-14-4-2-1-3-5-14/h6-9,14H,1-5,10-13,19H2,(H,20,21).
What are the key properties of 1-(4-aminophenyl)-N-(2-cyclohexylethyl)cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-(2-cyclohexylethyl)cyclopropane-1-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(2-cyclohexylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115913423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).