2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide

C15H22N2O3 — CID 106361507

IUPAC2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCCC2CO)c(N)c1
InChIInChI=1S/C15H22N2O3/c1-20-11-6-7-12(13(16)8-11)15(19)17-14-5-3-2-4-10(14)9-18/h6-8,10,14,18H,2-5,9,16H2,1H3,(H,17,19)
InChIKeyIDVSSTFTOKPVAO-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.56
Rot. Bonds4

About 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide

2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide (PubChem CID 106361507) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide
PubChem CID106361507
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCCC2CO)c(N)c1
InChIInChI=1S/C15H22N2O3/c1-20-11-6-7-12(13(16)8-11)15(19)17-14-5-3-2-4-10(14)9-18/h6-8,10,14,18H,2-5,9,16H2,1H3,(H,17,19)
InChIKeyIDVSSTFTOKPVAO-UHFFFAOYSA-N
XLogP1.56
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.56
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-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 115413437
2-amino-4-methoxy-N-(2-methylcyclopentyl)benzamide
CID 115413242
2-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
CID 115413436
2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103951112
2-amino-4-methoxy-N-(2-methylcyclopropyl)benzamide
CID 115413150
2-amino-N-(2,3-dimethylcyclopentyl)-4-methoxybenzamide
CID 115413379
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methoxybenzamide
CID 106358697
N-[2-(hydroxymethyl)cyclohexyl]-2-methoxy-5-methylbenzamide
CID 106364492
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride
CID 119610574
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-6-methoxybenzamide
CID 106358693
2-amino-N-(4-carbamoylcyclohexyl)-4-methoxybenzamide
CID 115412622
2-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 114178387

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide?
The IUPAC name of 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide (CID 106361507) is 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide.
What is the SMILES notation for 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide?
The canonical SMILES for 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide is COc1ccc(C(=O)NC2CCCCC2CO)c(N)c1.
What is the InChIKey of 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide?
The InChIKey is IDVSSTFTOKPVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-11-6-7-12(13(16)8-11)15(19)17-14-5-3-2-4-10(14)9-18/h6-8,10,14,18H,2-5,9,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide?
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide has a molecular weight of 278.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide is sourced from PubChem (CID 106361507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).