4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide

C16H24N2O2 — CID 104782492

IUPAC4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCC2CCCCC2)ccc1N
InChIInChI=1S/C16H24N2O2/c1-20-15-11-13(7-8-14(15)17)16(19)18-10-9-12-5-3-2-4-6-12/h7-8,11-12H,2-6,9-10,17H2,1H3,(H,18,19)
InChIKeyLMLFKFCKJSBESH-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.98
Rot. Bonds5

About 4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide

4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide (PubChem CID 104782492) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide
PubChem CID104782492
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCC2CCCCC2)ccc1N
InChIInChI=1S/C16H24N2O2/c1-20-15-11-13(7-8-14(15)17)16(19)18-10-9-12-5-3-2-4-6-12/h7-8,11-12H,2-6,9-10,17H2,1H3,(H,18,19)
InChIKeyLMLFKFCKJSBESH-UHFFFAOYSA-N
XLogP2.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-cyclopentylethyl)-4-methoxybenzamide
CID 54932498
4-amino-N-(2-cyclohexylethyl)-3-fluorobenzamide
CID 62680038
N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide
CID 38335556
3-amino-N-(2-cyclohexylethyl)-4-hydroxybenzamide
CID 91584143
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
methyl (2R)-2-[(4-amino-3-methoxybenzoyl)amino]-3-cyclohexylpropanoate
CID 90859031
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
methyl 3-[(4-amino-3-methoxybenzoyl)amino]propanoate
CID 104782478
4-amino-N-(3-aminopropyl)-3-methoxybenzamide
CID 89121865
4-amino-3-(cyclohexylmethoxy)-N-ethylbenzamide
CID 63358647
3-amino-N-(2-cyclopentylethyl)-4-(dimethylamino)benzamide
CID 61102345
4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107411010

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide?
The IUPAC name of 4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide (CID 104782492) is 4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide is COc1cc(C(=O)NCCC2CCCCC2)ccc1N.
What is the InChIKey of 4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide?
The InChIKey is LMLFKFCKJSBESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-15-11-13(7-8-14(15)17)16(19)18-10-9-12-5-3-2-4-6-12/h7-8,11-12H,2-6,9-10,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide?
4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide is sourced from PubChem (CID 104782492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).