4-butyl-N-[1-(hydroxymethyl)cyclobutyl]cyclohexane-1-carboxamide

C16H29NO2 — CID 115878057

IUPAC4-butyl-N-[1-(hydroxymethyl)cyclobutyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NC2(CO)CCC2)CC1
InChIInChI=1S/C16H29NO2/c1-2-3-5-13-6-8-14(9-7-13)15(19)17-16(12-18)10-4-11-16/h13-14,18H,2-12H2,1H3,(H,17,19)
InChIKeyMTWUVKOEJQTPGJ-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.01
Rot. Bonds6

About 4-butyl-N-[1-(hydroxymethyl)cyclobutyl]cyclohexane-1-carboxamide

4-butyl-N-[1-(hydroxymethyl)cyclobutyl]cyclohexane-1-carboxamide (PubChem CID 115878057) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 4-butyl-N-[1-(hydroxymethyl)cyclobutyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[1-(hydroxymethyl)cyclobutyl]cyclohexane-1-carboxamide
PubChem CID115878057
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name4-butyl-N-[1-(hydroxymethyl)cyclobutyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NC2(CO)CCC2)CC1
InChIInChI=1S/C16H29NO2/c1-2-3-5-13-6-8-14(9-7-13)15(19)17-16(12-18)10-4-11-16/h13-14,18H,2-12H2,1H3,(H,17,19)
InChIKeyMTWUVKOEJQTPGJ-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(hydroxymethyl)cyclobutyl]cyclopropanecarboxamide
CID 115878461
N-[1-(hydroxymethyl)cyclobutyl]cycloheptanecarboxamide
CID 115878103
4-butylcyclohexane-1-carbohydrazide
CID 2063620
N-[1-(hydroxymethyl)-4-methylcyclohexyl]cyclopropanecarboxamide
CID 62525414
2-[(4-butylcyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid
CID 43341292
(2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid
CID 107563614
4-butyl-N-[[1-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 115364050
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
CID 119629586
N-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 114310551
1-acetyl-N-[1-(hydroxymethyl)cyclohexyl]piperidine-4-carboxamide
CID 62520575
4-butyl-N-(3,3-dimethylcyclopentyl)cyclohexane-1-carboxamide
CID 114550438
1-(4-butylcyclohexyl)-2-cyclopentylethanone
CID 114969263

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[1-(hydroxymethyl)cyclobutyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-[1-(hydroxymethyl)cyclobutyl]cyclohexane-1-carboxamide (CID 115878057) is 4-butyl-N-[1-(hydroxymethyl)cyclobutyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-[1-(hydroxymethyl)cyclobutyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-[1-(hydroxymethyl)cyclobutyl]cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)NC2(CO)CCC2)CC1.
What is the InChIKey of 4-butyl-N-[1-(hydroxymethyl)cyclobutyl]cyclohexane-1-carboxamide?
The InChIKey is MTWUVKOEJQTPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-2-3-5-13-6-8-14(9-7-13)15(19)17-16(12-18)10-4-11-16/h13-14,18H,2-12H2,1H3,(H,17,19).
What are the key properties of 4-butyl-N-[1-(hydroxymethyl)cyclobutyl]cyclohexane-1-carboxamide?
4-butyl-N-[1-(hydroxymethyl)cyclobutyl]cyclohexane-1-carboxamide has a molecular weight of 267.41 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[1-(hydroxymethyl)cyclobutyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 115878057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).