2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide

C14H20N2O2 — CID 103951112

IUPAC2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide
SMILESNc1ccccc1C(=O)NC1CCCCC1CO
InChIInChI=1S/C14H20N2O2/c15-12-7-3-2-6-11(12)14(18)16-13-8-4-1-5-10(13)9-17/h2-3,6-7,10,13,17H,1,4-5,8-9,15H2,(H,16,18)
InChIKeyYLEJWWURSSQBBC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.55
Rot. Bonds3

About 2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide

2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide (PubChem CID 103951112) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide
PubChem CID103951112
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide
SMILESNc1ccccc1C(=O)NC1CCCCC1CO
InChIInChI=1S/C14H20N2O2/c15-12-7-3-2-6-11(12)14(18)16-13-8-4-1-5-10(13)9-17/h2-3,6-7,10,13,17H,1,4-5,8-9,15H2,(H,16,18)
InChIKeyYLEJWWURSSQBBC-UHFFFAOYSA-N
XLogP1.55
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(hydroxymethyl)cyclohexyl]-2-sulfanylbenzamide
CID 106367893
2-(2-aminoethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106361498
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
2-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 114178387
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methoxybenzamide
CID 106358697
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide
CID 106361507
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-6-methoxybenzamide
CID 106358693
4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide
CID 103798607
N-[2-(hydroxymethyl)cyclopentyl]-2-nitrobenzamide
CID 103751348
5-amino-2-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358647
2-amino-6-chloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 106358522
2-(ethylamino)-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 106362523

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
The IUPAC name of 2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide (CID 103951112) is 2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide.
What is the SMILES notation for 2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
The canonical SMILES for 2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide is Nc1ccccc1C(=O)NC1CCCCC1CO.
What is the InChIKey of 2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
The InChIKey is YLEJWWURSSQBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-12-7-3-2-6-11(12)14(18)16-13-8-4-1-5-10(13)9-17/h2-3,6-7,10,13,17H,1,4-5,8-9,15H2,(H,16,18).
What are the key properties of 2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide is sourced from PubChem (CID 103951112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).