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

C12H23NO2 — CID 103772299

IUPACN-(4-hydroxy-2,2-dimethylbutyl)cyclopentanecarboxamide
SMILESCC(C)(CCO)CNC(=O)C1CCCC1
InChIInChI=1S/C12H23NO2/c1-12(2,7-8-14)9-13-11(15)10-5-3-4-6-10/h10,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyJDLAMWJAGVZEDQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.70
Rot. Bonds5

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

N-(4-hydroxy-2,2-dimethylbutyl)cyclopentanecarboxamide (PubChem CID 103772299) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)cyclopentanecarboxamide
PubChem CID103772299
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)cyclopentanecarboxamide
SMILESCC(C)(CCO)CNC(=O)C1CCCC1
InChIInChI=1S/C12H23NO2/c1-12(2,7-8-14)9-13-11(15)10-5-3-4-6-10/h10,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyJDLAMWJAGVZEDQ-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxy-2,2-dimethylbutyl)cyclohexanecarboxamide
CID 103772539
N-(4-hydroxy-2,2-dimethylbutyl)cyclohex-3-ene-1-carboxamide
CID 103772445
N-(3-amino-2,2-dimethylpropyl)cyclohexanecarboxamide
CID 115365726
(2R)-N-(4-hydroxy-2,2-dimethylbutyl)piperidine-2-carboxamide
CID 106147826
N-(2-hydroxy-2-methylpropyl)cyclohexanecarboxamide
CID 65109688
2-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopentane-1-carboxamide
CID 106148063
N-[3-(cyclopentanecarbonylamino)-2,2-bis[(cyclopentanecarbonylamino)methyl]propyl]cyclopentanecarboxamide
CID 153313338
3-(cyclopentanecarbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173795
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopentanecarboxamide
CID 90522931
4-butyl-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide
CID 103899307
N-(2-cyclopropyl-2-hydroxypropyl)cyclohexanecarboxamide
CID 90499250
1-cyclopropyl-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 103708347

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)cyclopentanecarboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)cyclopentanecarboxamide (CID 103772299) is N-(4-hydroxy-2,2-dimethylbutyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)cyclopentanecarboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)cyclopentanecarboxamide is CC(C)(CCO)CNC(=O)C1CCCC1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)cyclopentanecarboxamide?
The InChIKey is JDLAMWJAGVZEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(2,7-8-14)9-13-11(15)10-5-3-4-6-10/h10,14H,3-9H2,1-2H3,(H,13,15).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)cyclopentanecarboxamide?
N-(4-hydroxy-2,2-dimethylbutyl)cyclopentanecarboxamide has a molecular weight of 213.32 g/mol, XLogP of 1.70, 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)cyclopentanecarboxamide is sourced from PubChem (CID 103772299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).