2-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide

C14H20N2O2 — CID 114178387

IUPAC2-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)NC2CCCC2CO)c1
InChIInChI=1S/C14H20N2O2/c1-9-5-6-12(15)11(7-9)14(18)16-13-4-2-3-10(13)8-17/h5-7,10,13,17H,2-4,8,15H2,1H3,(H,16,18)
InChIKeyGKUVZYKZELMGNF-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.47
Rot. Bonds3

About 2-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide

2-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide (PubChem CID 114178387) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
PubChem CID114178387
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)NC2CCCC2CO)c1
InChIInChI=1S/C14H20N2O2/c1-9-5-6-12(15)11(7-9)14(18)16-13-4-2-3-10(13)8-17/h5-7,10,13,17H,2-4,8,15H2,1H3,(H,16,18)
InChIKeyGKUVZYKZELMGNF-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
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

2-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 103822598
N-[2-(hydroxymethyl)cyclohexyl]-2-methoxy-5-methylbenzamide
CID 106364492
2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103951112
N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzamide
CID 103751423
3-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methyl-1-benzothiophene-2-carboxamide
CID 106367912
2-amino-N-(2,2-dimethylcyclopropyl)-5-methylbenzamide
CID 62510402
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide
CID 106361507
N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide
CID 103798546
4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113266858
N-[2-(hydroxymethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide
CID 103751569
2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-methylbenzoic acid
CID 106361825
N-[2-(hydroxymethyl)cyclopentyl]-2-(4-methylphenyl)acetamide
CID 103751406

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide?
The IUPAC name of 2-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide (CID 114178387) is 2-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide?
The canonical SMILES for 2-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide is Cc1ccc(N)c(C(=O)NC2CCCC2CO)c1.
What is the InChIKey of 2-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide?
The InChIKey is GKUVZYKZELMGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-5-6-12(15)11(7-9)14(18)16-13-4-2-3-10(13)8-17/h5-7,10,13,17H,2-4,8,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide?
2-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide has a molecular weight of 248.33 g/mol, XLogP of 1.47, 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)cyclopentyl]-5-methylbenzamide is sourced from PubChem (CID 114178387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).