4-butyl-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide

C16H31NO3 — CID 103799364

IUPAC4-butyl-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NC(CCO)COC)CC1
InChIInChI=1S/C16H31NO3/c1-3-4-5-13-6-8-14(9-7-13)16(19)17-15(10-11-18)12-20-2/h13-15,18H,3-12H2,1-2H3,(H,17,19)
InChIKeyXKIDXNURQSTVEZ-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.50
Rot. Bonds9

About 4-butyl-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide

4-butyl-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide (PubChem CID 103799364) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 4-butyl-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide
PubChem CID103799364
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name4-butyl-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NC(CCO)COC)CC1
InChIInChI=1S/C16H31NO3/c1-3-4-5-13-6-8-14(9-7-13)16(19)17-15(10-11-18)12-20-2/h13-15,18H,3-12H2,1-2H3,(H,17,19)
InChIKeyXKIDXNURQSTVEZ-UHFFFAOYSA-N
XLogP2.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid
CID 107563614
4-butyl-N-(4-chlorobutan-2-yl)cyclohexane-1-carboxamide
CID 83180503
N-(5-bromopentan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 113276065
N-(1-amino-4-methylpentan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 63754544
N-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 114310551
3-cyclopentyl-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103799344
2-(cyclopropylmethylamino)-N-(1-methoxyhexan-2-yl)acetamide;hydrochloride
CID 119795716
4-butyl-N-(4-methylpent-1-yn-3-yl)cyclohexane-1-carboxamide
CID 114202471
(2S,4S)-N-(1-methoxyhexan-2-yl)-2-methylpiperidine-4-carboxamide
CID 120634648
N-(4-hydroxy-1-methoxybutan-2-yl)-6-oxopiperidine-3-carboxamide
CID 103850894
4-butylcyclohexane-1-carbohydrazide
CID 2063620
cis-(1S,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 106155429

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide (CID 103799364) is 4-butyl-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)NC(CCO)COC)CC1.
What is the InChIKey of 4-butyl-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is XKIDXNURQSTVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-3-4-5-13-6-8-14(9-7-13)16(19)17-15(10-11-18)12-20-2/h13-15,18H,3-12H2,1-2H3,(H,17,19).
What are the key properties of 4-butyl-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide?
4-butyl-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 285.43 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 103799364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).