4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxybenzamide

C16H24N2O3 — CID 104782857

IUPAC4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2(CO)CCC(C)CC2)ccc1N
InChIInChI=1S/C16H24N2O3/c1-11-5-7-16(10-19,8-6-11)18-15(20)12-3-4-13(17)14(9-12)21-2/h3-4,9,11,19H,5-8,10,17H2,1-2H3,(H,18,20)
InChIKeyWTKORGJWRAZNPS-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.95
Rot. Bonds4

About 4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxybenzamide

4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxybenzamide (PubChem CID 104782857) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxybenzamide
PubChem CID104782857
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2(CO)CCC(C)CC2)ccc1N
InChIInChI=1S/C16H24N2O3/c1-11-5-7-16(10-19,8-6-11)18-15(20)12-3-4-13(17)14(9-12)21-2/h3-4,9,11,19H,5-8,10,17H2,1-2H3,(H,18,20)
InChIKeyWTKORGJWRAZNPS-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

4-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide
CID 89028285
N-[1-(bromomethyl)-4-methylcyclohexyl]-3-methoxy-4-methylbenzamide
CID 114315089
4-acetyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 86791516
4-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527504
3-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 81471727
2,4-diamino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527081
3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 62525597
N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-methylbenzamide
CID 62516961
3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527858
2-amino-4-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 63110502
4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107411010
4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxybenzamide
CID 104783013

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxybenzamide?
The IUPAC name of 4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxybenzamide (CID 104782857) is 4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxybenzamide is COc1cc(C(=O)NC2(CO)CCC(C)CC2)ccc1N.
What is the InChIKey of 4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxybenzamide?
The InChIKey is WTKORGJWRAZNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-5-7-16(10-19,8-6-11)18-15(20)12-3-4-13(17)14(9-12)21-2/h3-4,9,11,19H,5-8,10,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxybenzamide?
4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-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 4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxybenzamide is sourced from PubChem (CID 104782857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).