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

C18H27NO2 — CID 103860544

IUPAC4-butyl-N-[2-(hydroxymethyl)cyclohexyl]benzamide
SMILESCCCCc1ccc(C(=O)NC2CCCCC2CO)cc1
InChIInChI=1S/C18H27NO2/c1-2-3-6-14-9-11-15(12-10-14)18(21)19-17-8-5-4-7-16(17)13-20/h9-12,16-17,20H,2-8,13H2,1H3,(H,19,21)
InChIKeyRWHWMPDJNAWRNX-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.31
Rot. Bonds6

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

4-butyl-N-[2-(hydroxymethyl)cyclohexyl]benzamide (PubChem CID 103860544) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-butyl-N-[2-(hydroxymethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name4-butyl-N-[2-(hydroxymethyl)cyclohexyl]benzamide
PubChem CID103860544
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name4-butyl-N-[2-(hydroxymethyl)cyclohexyl]benzamide
SMILESCCCCc1ccc(C(=O)NC2CCCCC2CO)cc1
InChIInChI=1S/C18H27NO2/c1-2-3-6-14-9-11-15(12-10-14)18(21)19-17-8-5-4-7-16(17)13-20/h9-12,16-17,20H,2-8,13H2,1H3,(H,19,21)
InChIKeyRWHWMPDJNAWRNX-UHFFFAOYSA-N
XLogP3.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103774443
4-butyl-N-cyclopentylbenzamide
CID 60674795
4-(chloromethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106359879
4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide
CID 103798607
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
4-ethoxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751428
4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113266858
N-cyclohexyl-4-(4-pentylphenyl)benzamide
CID 3315464
N-[2-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide
CID 119604897
N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide
CID 119610066
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246
N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide
CID 103798546

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
The IUPAC name of 4-butyl-N-[2-(hydroxymethyl)cyclohexyl]benzamide (CID 103860544) is 4-butyl-N-[2-(hydroxymethyl)cyclohexyl]benzamide.
What is the SMILES notation for 4-butyl-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
The canonical SMILES for 4-butyl-N-[2-(hydroxymethyl)cyclohexyl]benzamide is CCCCc1ccc(C(=O)NC2CCCCC2CO)cc1.
What is the InChIKey of 4-butyl-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
The InChIKey is RWHWMPDJNAWRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-3-6-14-9-11-15(12-10-14)18(21)19-17-8-5-4-7-16(17)13-20/h9-12,16-17,20H,2-8,13H2,1H3,(H,19,21).
What are the key properties of 4-butyl-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
4-butyl-N-[2-(hydroxymethyl)cyclohexyl]benzamide has a molecular weight of 289.42 g/mol, XLogP of 3.31, 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)cyclohexyl]benzamide is sourced from PubChem (CID 103860544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).