N-(4-hydroxy-2,2-dimethylbutyl)cyclohexanecarboxamide

C13H25NO2 — CID 103772539

IUPACN-(4-hydroxy-2,2-dimethylbutyl)cyclohexanecarboxamide
SMILESCC(C)(CCO)CNC(=O)C1CCCCC1
InChIInChI=1S/C13H25NO2/c1-13(2,8-9-15)10-14-12(16)11-6-4-3-5-7-11/h11,15H,3-10H2,1-2H3,(H,14,16)
InChIKeyCGJGWQVDCSEGQK-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.09
Rot. Bonds5

About N-(4-hydroxy-2,2-dimethylbutyl)cyclohexanecarboxamide

N-(4-hydroxy-2,2-dimethylbutyl)cyclohexanecarboxamide (PubChem CID 103772539) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)cyclohexanecarboxamide
PubChem CID103772539
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)cyclohexanecarboxamide
SMILESCC(C)(CCO)CNC(=O)C1CCCCC1
InChIInChI=1S/C13H25NO2/c1-13(2,8-9-15)10-14-12(16)11-6-4-3-5-7-11/h11,15H,3-10H2,1-2H3,(H,14,16)
InChIKeyCGJGWQVDCSEGQK-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxy-2,2-dimethylbutyl)cyclopentanecarboxamide
CID 103772299
N-(3-amino-2,2-dimethylpropyl)cyclohexanecarboxamide
CID 115365726
N-(4-hydroxy-2,2-dimethylbutyl)cyclohex-3-ene-1-carboxamide
CID 103772445
N-(2-hydroxy-2-methylpropyl)cyclohexanecarboxamide
CID 65109688
(2R)-N-(4-hydroxy-2,2-dimethylbutyl)piperidine-2-carboxamide
CID 106147826
N-(2-cyclopropyl-2-hydroxypropyl)cyclohexanecarboxamide
CID 90499250
2-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopentane-1-carboxamide
CID 106148063
1-(1-cyclohexylethyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111507119
N-[3-(cyclopentanecarbonylamino)-2,2-bis[(cyclopentanecarbonylamino)methyl]propyl]cyclopentanecarboxamide
CID 153313338
N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide
CID 104858285
N-(4-hydroxy-2,2-dimethylbutyl)piperidine-1-carboxamide
CID 103713759
3-(cyclopentanecarbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173795

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)cyclohexanecarboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)cyclohexanecarboxamide (CID 103772539) is N-(4-hydroxy-2,2-dimethylbutyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)cyclohexanecarboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)cyclohexanecarboxamide is CC(C)(CCO)CNC(=O)C1CCCCC1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)cyclohexanecarboxamide?
The InChIKey is CGJGWQVDCSEGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(2,8-9-15)10-14-12(16)11-6-4-3-5-7-11/h11,15H,3-10H2,1-2H3,(H,14,16).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)cyclohexanecarboxamide?
N-(4-hydroxy-2,2-dimethylbutyl)cyclohexanecarboxamide has a molecular weight of 227.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)cyclohexanecarboxamide is sourced from PubChem (CID 103772539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).