3-amino-N-ethyl-N-(4-methylphenyl)cyclohexane-1-carboxamide

C16H24N2O — CID 63046107

IUPAC3-amino-N-ethyl-N-(4-methylphenyl)cyclohexane-1-carboxamide
SMILESCCN(C(=O)C1CCCC(N)C1)c1ccc(C)cc1
InChIInChI=1S/C16H24N2O/c1-3-18(15-9-7-12(2)8-10-15)16(19)13-5-4-6-14(17)11-13/h7-10,13-14H,3-6,11,17H2,1-2H3
InChIKeyZGQCDYQUMYGNJQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.87
Rot. Bonds3

About 3-amino-N-ethyl-N-(4-methylphenyl)cyclohexane-1-carboxamide

3-amino-N-ethyl-N-(4-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 63046107) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-(4-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-(4-methylphenyl)cyclohexane-1-carboxamide
PubChem CID63046107
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-amino-N-ethyl-N-(4-methylphenyl)cyclohexane-1-carboxamide
SMILESCCN(C(=O)C1CCCC(N)C1)c1ccc(C)cc1
InChIInChI=1S/C16H24N2O/c1-3-18(15-9-7-12(2)8-10-15)16(19)13-5-4-6-14(17)11-13/h7-10,13-14H,3-6,11,17H2,1-2H3
InChIKeyZGQCDYQUMYGNJQ-UHFFFAOYSA-N
XLogP2.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-ethyl-N-(3-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119705842
3-[ethyl-(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550633
3-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 119795534
N-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide
CID 39964862
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclohexane-1-carboxamide
CID 119806871
N-(3-aminopropyl)-N-(4-methylphenyl)cyclobutanecarboxamide
CID 43135948
3-(N-(3-aminocyclohexanecarbonyl)anilino)propanoic acid
CID 63046094
N-ethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119706995
N-[4-(aminomethyl)phenyl]-N-ethylcyclooctanecarboxamide
CID 65019275
3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782796
(2R)-N-ethyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 103794860

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-(4-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-ethyl-N-(4-methylphenyl)cyclohexane-1-carboxamide (CID 63046107) is 3-amino-N-ethyl-N-(4-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-N-(4-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-N-(4-methylphenyl)cyclohexane-1-carboxamide is CCN(C(=O)C1CCCC(N)C1)c1ccc(C)cc1.
What is the InChIKey of 3-amino-N-ethyl-N-(4-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is ZGQCDYQUMYGNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-18(15-9-7-12(2)8-10-15)16(19)13-5-4-6-14(17)11-13/h7-10,13-14H,3-6,11,17H2,1-2H3.
What are the key properties of 3-amino-N-ethyl-N-(4-methylphenyl)cyclohexane-1-carboxamide?
3-amino-N-ethyl-N-(4-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-(4-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63046107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).