1-(4-aminophenyl)-N-methyl-N-(3-methylcyclohexyl)cyclopropane-1-carboxamide

C18H26N2O — CID 115913557

IUPAC1-(4-aminophenyl)-N-methyl-N-(3-methylcyclohexyl)cyclopropane-1-carboxamide
SMILESCC1CCCC(N(C)C(=O)C2(c3ccc(N)cc3)CC2)C1
InChIInChI=1S/C18H26N2O/c1-13-4-3-5-16(12-13)20(2)17(21)18(10-11-18)14-6-8-15(19)9-7-14/h6-9,13,16H,3-5,10-12,19H2,1-2H3
InChIKeyJOVRMDOZYADVNJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.34
Rot. Bonds3

About 1-(4-aminophenyl)-N-methyl-N-(3-methylcyclohexyl)cyclopropane-1-carboxamide

1-(4-aminophenyl)-N-methyl-N-(3-methylcyclohexyl)cyclopropane-1-carboxamide (PubChem CID 115913557) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-methyl-N-(3-methylcyclohexyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-methyl-N-(3-methylcyclohexyl)cyclopropane-1-carboxamide
PubChem CID115913557
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-(4-aminophenyl)-N-methyl-N-(3-methylcyclohexyl)cyclopropane-1-carboxamide
SMILESCC1CCCC(N(C)C(=O)C2(c3ccc(N)cc3)CC2)C1
InChIInChI=1S/C18H26N2O/c1-13-4-3-5-16(12-13)20(2)17(21)18(10-11-18)14-6-8-15(19)9-7-14/h6-9,13,16H,3-5,10-12,19H2,1-2H3
InChIKeyJOVRMDOZYADVNJ-UHFFFAOYSA-N
XLogP3.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-methyl-N-(3-methylcyclohexyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-methyl-N-(3-methylcyclohexyl)cyclopropane-1-carboxamide (CID 115913557) is 1-(4-aminophenyl)-N-methyl-N-(3-methylcyclohexyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-methyl-N-(3-methylcyclohexyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-methyl-N-(3-methylcyclohexyl)cyclopropane-1-carboxamide is CC1CCCC(N(C)C(=O)C2(c3ccc(N)cc3)CC2)C1.
What is the InChIKey of 1-(4-aminophenyl)-N-methyl-N-(3-methylcyclohexyl)cyclopropane-1-carboxamide?
The InChIKey is JOVRMDOZYADVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-4-3-5-16(12-13)20(2)17(21)18(10-11-18)14-6-8-15(19)9-7-14/h6-9,13,16H,3-5,10-12,19H2,1-2H3.
What are the key properties of 1-(4-aminophenyl)-N-methyl-N-(3-methylcyclohexyl)cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-methyl-N-(3-methylcyclohexyl)cyclopropane-1-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-methyl-N-(3-methylcyclohexyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115913557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).