2-amino-N-[2-(hydroxymethyl)cyclohexyl]-6-methoxybenzamide

C15H22N2O3 — CID 106358693

IUPAC2-amino-N-[2-(hydroxymethyl)cyclohexyl]-6-methoxybenzamide
SMILESCOc1cccc(N)c1C(=O)NC1CCCCC1CO
InChIInChI=1S/C15H22N2O3/c1-20-13-8-4-6-11(16)14(13)15(19)17-12-7-3-2-5-10(12)9-18/h4,6,8,10,12,18H,2-3,5,7,9,16H2,1H3,(H,17,19)
InChIKeyGCORVYSMQKFVEK-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.56
Rot. Bonds4

About 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-6-methoxybenzamide

2-amino-N-[2-(hydroxymethyl)cyclohexyl]-6-methoxybenzamide (PubChem CID 106358693) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-6-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(hydroxymethyl)cyclohexyl]-6-methoxybenzamide
PubChem CID106358693
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-amino-N-[2-(hydroxymethyl)cyclohexyl]-6-methoxybenzamide
SMILESCOc1cccc(N)c1C(=O)NC1CCCCC1CO
InChIInChI=1S/C15H22N2O3/c1-20-13-8-4-6-11(16)14(13)15(19)17-12-7-3-2-5-10(12)9-18/h4,6,8,10,12,18H,2-3,5,7,9,16H2,1H3,(H,17,19)
InChIKeyGCORVYSMQKFVEK-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]-3-methoxybenzamide
CID 106358697
2-amino-6-chloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 106358522
N-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide
CID 93452343
2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103951112
N-[2-(hydroxymethyl)cyclohexyl]-2-(2-methoxyphenyl)acetamide
CID 103798304
N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide
CID 118308160
N-[(1R,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide
CID 122452181
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide
CID 106361507
N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide
CID 104928008
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
2-(2-aminophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 106358626
2-amino-N-(2,4-dimethylcyclohexyl)-6-methoxybenzamide
CID 81420602

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-6-methoxybenzamide?
The IUPAC name of 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-6-methoxybenzamide (CID 106358693) is 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-6-methoxybenzamide.
What is the SMILES notation for 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-6-methoxybenzamide?
The canonical SMILES for 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-6-methoxybenzamide is COc1cccc(N)c1C(=O)NC1CCCCC1CO.
What is the InChIKey of 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-6-methoxybenzamide?
The InChIKey is GCORVYSMQKFVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-13-8-4-6-11(16)14(13)15(19)17-12-7-3-2-5-10(12)9-18/h4,6,8,10,12,18H,2-3,5,7,9,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-6-methoxybenzamide?
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-6-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]-6-methoxybenzamide is sourced from PubChem (CID 106358693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).