4-butyl-N-[2-(hydroxymethyl)cyclopentyl]benzamide

C17H25NO2 — CID 103774443

IUPAC4-butyl-N-[2-(hydroxymethyl)cyclopentyl]benzamide
SMILESCCCCc1ccc(C(=O)NC2CCCC2CO)cc1
InChIInChI=1S/C17H25NO2/c1-2-3-5-13-8-10-14(11-9-13)17(20)18-16-7-4-6-15(16)12-19/h8-11,15-16,19H,2-7,12H2,1H3,(H,18,20)
InChIKeyAZYGPYQFMTYEFI-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.92
Rot. Bonds6

About 4-butyl-N-[2-(hydroxymethyl)cyclopentyl]benzamide

4-butyl-N-[2-(hydroxymethyl)cyclopentyl]benzamide (PubChem CID 103774443) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-butyl-N-[2-(hydroxymethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name4-butyl-N-[2-(hydroxymethyl)cyclopentyl]benzamide
PubChem CID103774443
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-butyl-N-[2-(hydroxymethyl)cyclopentyl]benzamide
SMILESCCCCc1ccc(C(=O)NC2CCCC2CO)cc1
InChIInChI=1S/C17H25NO2/c1-2-3-5-13-8-10-14(11-9-13)17(20)18-16-7-4-6-15(16)12-19/h8-11,15-16,19H,2-7,12H2,1H3,(H,18,20)
InChIKeyAZYGPYQFMTYEFI-UHFFFAOYSA-N
XLogP2.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103860544
4-butyl-N-cyclopentylbenzamide
CID 60674795
4-(chloromethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106359879
4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113266858
4-ethoxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751428
N-[2-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide
CID 119604897
4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide
CID 103798607
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
N-[2-(hydroxymethyl)cyclopentyl]-5-methylfuran-2-carboxamide
CID 103759065
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
3,5-dibromo-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103909256

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[2-(hydroxymethyl)cyclopentyl]benzamide?
The IUPAC name of 4-butyl-N-[2-(hydroxymethyl)cyclopentyl]benzamide (CID 103774443) is 4-butyl-N-[2-(hydroxymethyl)cyclopentyl]benzamide.
What is the SMILES notation for 4-butyl-N-[2-(hydroxymethyl)cyclopentyl]benzamide?
The canonical SMILES for 4-butyl-N-[2-(hydroxymethyl)cyclopentyl]benzamide is CCCCc1ccc(C(=O)NC2CCCC2CO)cc1.
What is the InChIKey of 4-butyl-N-[2-(hydroxymethyl)cyclopentyl]benzamide?
The InChIKey is AZYGPYQFMTYEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-3-5-13-8-10-14(11-9-13)17(20)18-16-7-4-6-15(16)12-19/h8-11,15-16,19H,2-7,12H2,1H3,(H,18,20).
What are the key properties of 4-butyl-N-[2-(hydroxymethyl)cyclopentyl]benzamide?
4-butyl-N-[2-(hydroxymethyl)cyclopentyl]benzamide has a molecular weight of 275.39 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[2-(hydroxymethyl)cyclopentyl]benzamide is sourced from PubChem (CID 103774443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).