N-(2-ethyl-4-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide

C15H29NO2 — CID 107180430

IUPACN-(2-ethyl-4-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCCC(CCO)CNC(=O)C1CCCCC1(C)C
InChIInChI=1S/C15H29NO2/c1-4-12(8-10-17)11-16-14(18)13-7-5-6-9-15(13,2)3/h12-13,17H,4-11H2,1-3H3,(H,16,18)
InChIKeyBRDWFLNLLPRQQH-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.73
Rot. Bonds6

About N-(2-ethyl-4-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide

N-(2-ethyl-4-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 107180430) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-(2-ethyl-4-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-4-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID107180430
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-(2-ethyl-4-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCCC(CCO)CNC(=O)C1CCCCC1(C)C
InChIInChI=1S/C15H29NO2/c1-4-12(8-10-17)11-16-14(18)13-7-5-6-9-15(13,2)3/h12-13,17H,4-11H2,1-3H3,(H,16,18)
InChIKeyBRDWFLNLLPRQQH-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chloroethyl)pentyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 106117575
N-(2-chloro-4-methylpentyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107184547
N-(3-hydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104918370
N-(3-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180369
2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide
CID 107178834
N-(4-chloro-2-methylbutyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107184110
N-(4-bromopentyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 106131588
N-(2-cyanopropyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104919622
N-(4-aminopentan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107184708
N-(5-hydroxy-2,2-dimethylpentyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107299247
N-hydroxy-2,2-dimethylcyclohexane-1-carboxamide
CID 87324456
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethylcyclohexane-1-carboxamide
CID 114008358

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-ethyl-4-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide (CID 107180430) is N-(2-ethyl-4-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-ethyl-4-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-ethyl-4-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide is CCC(CCO)CNC(=O)C1CCCCC1(C)C.
What is the InChIKey of N-(2-ethyl-4-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is BRDWFLNLLPRQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-12(8-10-17)11-16-14(18)13-7-5-6-9-15(13,2)3/h12-13,17H,4-11H2,1-3H3,(H,16,18).
What are the key properties of N-(2-ethyl-4-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide?
N-(2-ethyl-4-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 255.40 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107180430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).