1-(4-methoxyanilino)cyclohexane-1-carboxamide

C14H20N2O2 — CID 2310511

IUPAC1-(4-methoxyanilino)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC2(C(N)=O)CCCCC2)cc1
InChIInChI=1S/C14H20N2O2/c1-18-12-7-5-11(6-8-12)16-14(13(15)17)9-3-2-4-10-14/h5-8,16H,2-4,9-10H2,1H3,(H2,15,17)
InChIKeyHIXOZHYNXDACAC-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.30
Rot. Bonds4

About 1-(4-methoxyanilino)cyclohexane-1-carboxamide

1-(4-methoxyanilino)cyclohexane-1-carboxamide (PubChem CID 2310511) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(4-methoxyanilino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyanilino)cyclohexane-1-carboxamide
PubChem CID2310511
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(4-methoxyanilino)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC2(C(N)=O)CCCCC2)cc1
InChIInChI=1S/C14H20N2O2/c1-18-12-7-5-11(6-8-12)16-14(13(15)17)9-3-2-4-10-14/h5-8,16H,2-4,9-10H2,1H3,(H2,15,17)
InChIKeyHIXOZHYNXDACAC-UHFFFAOYSA-N
XLogP2.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyanilino)cycloheptane-1-carboxamide
CID 54889423
methyl 1-(4-methoxyanilino)cyclohexane-1-carboxylate
CID 54890159
4-(4-methoxyanilino)oxane-4-carboxamide
CID 54889147
1-(4-methoxyanilino)cyclohexane-1-carboxylate
CID 7018136
1-(4-methoxyanilino)-3-methylcyclopentane-1-carboxamide
CID 64516643
1-(4-methylanilino)cyclobutane-1-carboxamide
CID 61006087
N-(1-carbamothioylcyclohexyl)-4-methoxybenzamide
CID 61121119
1-formamido-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 15065034
1-(aminomethyl)-N-(4-methoxyphenyl)cyclooctan-1-amine
CID 65383457
1-(3-methylanilino)cyclohexane-1-carboxamide
CID 54892073
ethyl 3-(4-methoxyanilino)-1,1-dioxothiolane-3-carboxylate
CID 63166073
1-[1-(4-aminoanilino)cyclohexyl]ethanone
CID 70538433

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyanilino)cyclohexane-1-carboxamide?
The IUPAC name of 1-(4-methoxyanilino)cyclohexane-1-carboxamide (CID 2310511) is 1-(4-methoxyanilino)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-methoxyanilino)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-methoxyanilino)cyclohexane-1-carboxamide is COc1ccc(NC2(C(N)=O)CCCCC2)cc1.
What is the InChIKey of 1-(4-methoxyanilino)cyclohexane-1-carboxamide?
The InChIKey is HIXOZHYNXDACAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-12-7-5-11(6-8-12)16-14(13(15)17)9-3-2-4-10-14/h5-8,16H,2-4,9-10H2,1H3,(H2,15,17).
What are the key properties of 1-(4-methoxyanilino)cyclohexane-1-carboxamide?
1-(4-methoxyanilino)cyclohexane-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyanilino)cyclohexane-1-carboxamide is sourced from PubChem (CID 2310511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).