3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]benzamide

C15H22N2O2 — CID 62016224

IUPAC3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]benzamide
SMILESNC(=O)c1cccc(CN(CCO)C2CCCC2)c1
InChIInChI=1S/C15H22N2O2/c16-15(19)13-5-3-4-12(10-13)11-17(8-9-18)14-6-1-2-7-14/h3-5,10,14,18H,1-2,6-9,11H2,(H2,16,19)
InChIKeyIKFCLZSVUKQMCK-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.52
Rot. Bonds6

About 3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]benzamide

3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]benzamide (PubChem CID 62016224) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]benzamide
PubChem CID62016224
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]benzamide
SMILESNC(=O)c1cccc(CN(CCO)C2CCCC2)c1
InChIInChI=1S/C15H22N2O2/c16-15(19)13-5-3-4-12(10-13)11-17(8-9-18)14-6-1-2-7-14/h3-5,10,14,18H,1-2,6-9,11H2,(H2,16,19)
InChIKeyIKFCLZSVUKQMCK-UHFFFAOYSA-N
XLogP1.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzohydrazide
CID 102873726
3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide
CID 111112920
3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102679360
3-[[piperidin-4-yl(propyl)amino]methyl]benzamide;hydrochloride
CID 119933024
N-[3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]phenyl]acetamide
CID 110921357
2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol
CID 54993281
2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol
CID 62015858
3-[[2-carboxyethyl(cyclopropyl)amino]methyl]benzoic acid
CID 82327896
2-[(3-aminophenyl)methyl-cyclohexylamino]acetamide
CID 43461239
5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 107879297
2-[cyclopentyl(quinolin-6-ylmethyl)amino]ethanol
CID 62015236
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol
CID 107878292

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]benzamide?
The IUPAC name of 3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]benzamide (CID 62016224) is 3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]benzamide.
What is the SMILES notation for 3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]benzamide?
The canonical SMILES for 3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]benzamide is NC(=O)c1cccc(CN(CCO)C2CCCC2)c1.
What is the InChIKey of 3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]benzamide?
The InChIKey is IKFCLZSVUKQMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-15(19)13-5-3-4-12(10-13)11-17(8-9-18)14-6-1-2-7-14/h3-5,10,14,18H,1-2,6-9,11H2,(H2,16,19).
What are the key properties of 3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]benzamide?
3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]benzamide has a molecular weight of 262.35 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]benzamide is sourced from PubChem (CID 62016224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).