2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-methoxybenzamide

C16H24N2O3 — CID 81394673

IUPAC2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-methoxybenzamide
SMILESCOc1cccc(N)c1C(=O)NC1(CO)CCCC(C)C1
InChIInChI=1S/C16H24N2O3/c1-11-5-4-8-16(9-11,10-19)18-15(20)14-12(17)6-3-7-13(14)21-2/h3,6-7,11,19H,4-5,8-10,17H2,1-2H3,(H,18,20)
InChIKeyAHONGHAWSTVGAI-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.95
Rot. Bonds4

About 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-methoxybenzamide

2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-methoxybenzamide (PubChem CID 81394673) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-methoxybenzamide
PubChem CID81394673
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-methoxybenzamide
SMILESCOc1cccc(N)c1C(=O)NC1(CO)CCCC(C)C1
InChIInChI=1S/C16H24N2O3/c1-11-5-4-8-16(9-11,10-19)18-15(20)14-12(17)6-3-7-13(14)21-2/h3,6-7,11,19H,4-5,8-10,17H2,1-2H3,(H,18,20)
InChIKeyAHONGHAWSTVGAI-UHFFFAOYSA-N
XLogP1.95
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 107690075
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methoxybenzamide
CID 106296667
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methoxybenzamide
CID 62527012
2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide
CID 62527090
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-iodobenzamide
CID 62526843
N-[1-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzamide
CID 63755237
2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide
CID 81479815
[1-(2-amino-6-chloroanilino)-3-methylcyclohexyl]methanol
CID 62551812
4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxybenzamide
CID 104782857
N-[1-(chloromethyl)-3-methylcyclohexyl]-2,6-difluorobenzamide
CID 114304014
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-3-carboxamide
CID 62525635
5-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 62527720

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-methoxybenzamide?
The IUPAC name of 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-methoxybenzamide (CID 81394673) is 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-methoxybenzamide.
What is the SMILES notation for 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-methoxybenzamide?
The canonical SMILES for 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-methoxybenzamide is COc1cccc(N)c1C(=O)NC1(CO)CCCC(C)C1.
What is the InChIKey of 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-methoxybenzamide?
The InChIKey is AHONGHAWSTVGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-5-4-8-16(9-11,10-19)18-15(20)14-12(17)6-3-7-13(14)21-2/h3,6-7,11,19H,4-5,8-10,17H2,1-2H3,(H,18,20).
What are the key properties of 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-methoxybenzamide?
2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-methoxybenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-methoxybenzamide is sourced from PubChem (CID 81394673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).