N-cyclopentyl-4-(hydroxymethyl)benzamide

C13H17NO2 — CID 60636896

IUPACN-cyclopentyl-4-(hydroxymethyl)benzamide
SMILESO=C(NC1CCCC1)c1ccc(CO)cc1
InChIInChI=1S/C13H17NO2/c15-9-10-5-7-11(8-6-10)13(16)14-12-3-1-2-4-12/h5-8,12,15H,1-4,9H2,(H,14,16)
InChIKeyVKCQGDLXSSLCNC-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.85
Rot. Bonds3

About N-cyclopentyl-4-(hydroxymethyl)benzamide

N-cyclopentyl-4-(hydroxymethyl)benzamide (PubChem CID 60636896) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-cyclopentyl-4-(hydroxymethyl)benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(hydroxymethyl)benzamide
PubChem CID60636896
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-cyclopentyl-4-(hydroxymethyl)benzamide
SMILESO=C(NC1CCCC1)c1ccc(CO)cc1
InChIInChI=1S/C13H17NO2/c15-9-10-5-7-11(8-6-10)13(16)14-12-3-1-2-4-12/h5-8,12,15H,1-4,9H2,(H,14,16)
InChIKeyVKCQGDLXSSLCNC-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(hydroxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 60809354
cis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 114173152
4-butyl-N-cyclopentylbenzamide
CID 60674795
N-cyclohexyl-3-(hydroxymethyl)benzamide
CID 91471935
N-cyclopentyl-4-sulfanylbenzamide
CID 71194494
N-cyclohexyl-4-(2-pyridin-4-ylethyl)benzamide
CID 67802758
4-[(carbamoylamino)methyl]-N-cyclooctylbenzamide
CID 29206004
4-bromo-N-cycloheptylbenzamide
CID 2843132
4-bromo-N-cyclooctylbenzamide
CID 902872
N-cyclooctyl-4-methylbenzamide
CID 3995245
4-N-cyclopentyl-1-N-propylbenzene-1,4-dicarboxamide
CID 109042876
[2-(cycloheptylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7541782

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(hydroxymethyl)benzamide?
The IUPAC name of N-cyclopentyl-4-(hydroxymethyl)benzamide (CID 60636896) is N-cyclopentyl-4-(hydroxymethyl)benzamide.
What is the SMILES notation for N-cyclopentyl-4-(hydroxymethyl)benzamide?
The canonical SMILES for N-cyclopentyl-4-(hydroxymethyl)benzamide is O=C(NC1CCCC1)c1ccc(CO)cc1.
What is the InChIKey of N-cyclopentyl-4-(hydroxymethyl)benzamide?
The InChIKey is VKCQGDLXSSLCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-9-10-5-7-11(8-6-10)13(16)14-12-3-1-2-4-12/h5-8,12,15H,1-4,9H2,(H,14,16).
What are the key properties of N-cyclopentyl-4-(hydroxymethyl)benzamide?
N-cyclopentyl-4-(hydroxymethyl)benzamide has a molecular weight of 219.28 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(hydroxymethyl)benzamide is sourced from PubChem (CID 60636896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).