1-cyano-N-(2-hydroxy-2,3-dimethylpentyl)cyclopentane-1-carboxamide

C14H24N2O2 — CID 111463620

IUPAC1-cyano-N-(2-hydroxy-2,3-dimethylpentyl)cyclopentane-1-carboxamide
SMILESCCC(C)C(C)(O)CNC(=O)C1(C#N)CCCC1
InChIInChI=1S/C14H24N2O2/c1-4-11(2)13(3,18)10-16-12(17)14(9-15)7-5-6-8-14/h11,18H,4-8,10H2,1-3H3,(H,16,17)
InChIKeyWQJFYJBKPGZFQQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.98
Rot. Bonds5

About 1-cyano-N-(2-hydroxy-2,3-dimethylpentyl)cyclopentane-1-carboxamide

1-cyano-N-(2-hydroxy-2,3-dimethylpentyl)cyclopentane-1-carboxamide (PubChem CID 111463620) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-cyano-N-(2-hydroxy-2,3-dimethylpentyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-hydroxy-2,3-dimethylpentyl)cyclopentane-1-carboxamide
PubChem CID111463620
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-cyano-N-(2-hydroxy-2,3-dimethylpentyl)cyclopentane-1-carboxamide
SMILESCCC(C)C(C)(O)CNC(=O)C1(C#N)CCCC1
InChIInChI=1S/C14H24N2O2/c1-4-11(2)13(3,18)10-16-12(17)14(9-15)7-5-6-8-14/h11,18H,4-8,10H2,1-3H3,(H,16,17)
InChIKeyWQJFYJBKPGZFQQ-UHFFFAOYSA-N
XLogP1.98
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-3-[(1-cyanocyclopentanecarbonyl)amino]-2-hydroxy-2-methylpropanoate
CID 97307698
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CID 103709316
1-cyano-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide
CID 59860392
1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide
CID 115661132
1-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclohexane-1-carboxamide
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1-cyano-N-(2,2,3,3-tetramethylbutyl)cyclopropane-1-carboxamide
CID 115181768
1-cyano-N-(4-methylpentyl)cyclopentane-1-carboxamide
CID 60738598
N-butan-2-yl-1-cyanocyclobutane-1-carboxamide
CID 78994718
1-cyano-N-(3-ethylpentan-3-yl)cyclopentane-1-carboxamide
CID 65043819
1-cyano-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide
CID 80598633
1-cyano-N-pentan-2-ylcyclopentane-1-carboxamide
CID 55025382
1-cyano-N-[2-(ethylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 61461650

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-hydroxy-2,3-dimethylpentyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-hydroxy-2,3-dimethylpentyl)cyclopentane-1-carboxamide (CID 111463620) is 1-cyano-N-(2-hydroxy-2,3-dimethylpentyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-hydroxy-2,3-dimethylpentyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-hydroxy-2,3-dimethylpentyl)cyclopentane-1-carboxamide is CCC(C)C(C)(O)CNC(=O)C1(C#N)CCCC1.
What is the InChIKey of 1-cyano-N-(2-hydroxy-2,3-dimethylpentyl)cyclopentane-1-carboxamide?
The InChIKey is WQJFYJBKPGZFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-11(2)13(3,18)10-16-12(17)14(9-15)7-5-6-8-14/h11,18H,4-8,10H2,1-3H3,(H,16,17).
What are the key properties of 1-cyano-N-(2-hydroxy-2,3-dimethylpentyl)cyclopentane-1-carboxamide?
1-cyano-N-(2-hydroxy-2,3-dimethylpentyl)cyclopentane-1-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-hydroxy-2,3-dimethylpentyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 111463620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).