5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide

C15H22N2O2 — CID 115357784

IUPAC5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NCC1(CO)CCCC1
InChIInChI=1S/C15H22N2O2/c1-11-4-5-12(16)8-13(11)14(19)17-9-15(10-18)6-2-3-7-15/h4-5,8,18H,2-3,6-7,9-10,16H2,1H3,(H,17,19)
InChIKeyCPPXYOXMAHHCQW-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.86
Rot. Bonds4

About 5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide

5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide (PubChem CID 115357784) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
PubChem CID115357784
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NCC1(CO)CCCC1
InChIInChI=1S/C15H22N2O2/c1-11-4-5-12(16)8-13(11)14(19)17-9-15(10-18)6-2-3-7-15/h4-5,8,18H,2-3,6-7,9-10,16H2,1H3,(H,17,19)
InChIKeyCPPXYOXMAHHCQW-UHFFFAOYSA-N
XLogP1.86
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.86
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

4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide
CID 103965180
5-amino-2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357710
5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357739
5-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
CID 113294009
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-5-sulfanylbenzamide
CID 107034278
2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103965171
4-amino-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357733
5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpyridine-3-carboxamide
CID 115357766
5-amino-2-methyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide;dihydrochloride
CID 120646718
4-amino-N-ethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 115358011
5-amino-N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]-2-methylbenzamide
CID 120637216
5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide
CID 120643871

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide (CID 115357784) is 5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide is Cc1ccc(N)cc1C(=O)NCC1(CO)CCCC1.
What is the InChIKey of 5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide?
The InChIKey is CPPXYOXMAHHCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-4-5-12(16)8-13(11)14(19)17-9-15(10-18)6-2-3-7-15/h4-5,8,18H,2-3,6-7,9-10,16H2,1H3,(H,17,19).
What are the key properties of 5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide?
5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 115357784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).