2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-propylpentanamide

C16H28N2O2 — CID 115360372

IUPAC2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NCC1(CO)CCCC1
InChIInChI=1S/C16H28N2O2/c1-3-7-16(11-17,8-4-2)14(20)18-12-15(13-19)9-5-6-10-15/h19H,3-10,12-13H2,1-2H3,(H,18,20)
InChIKeyMUPXTUCULMOFDB-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.77
Rot. Bonds8

About 2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-propylpentanamide

2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-propylpentanamide (PubChem CID 115360372) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-propylpentanamide.

Molecular Properties

Compound Name2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-propylpentanamide
PubChem CID115360372
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NCC1(CO)CCCC1
InChIInChI=1S/C16H28N2O2/c1-3-7-16(11-17,8-4-2)14(20)18-12-15(13-19)9-5-6-10-15/h19H,3-10,12-13H2,1-2H3,(H,18,20)
InChIKeyMUPXTUCULMOFDB-UHFFFAOYSA-N
XLogP2.77
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-propylpentanamide
CID 105417773
2-cyano-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbutanamide
CID 113359686
2-(aminomethyl)-2-ethyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]butanamide
CID 113309032
2-amino-3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpropanamide
CID 113293905
N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 110292524
3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 112701928
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-2-methylpropanamide
CID 113258787
2-cyano-N-(2,2-dimethylcyclopentyl)-2-propylpentanamide
CID 79878649
2-amino-N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]-2-methylpentanamide
CID 119817843
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374
2-cyano-N-(2-methoxy-2-methylpropyl)-2-propylpentanamide
CID 113450294
N-[2-(tert-butylamino)-2-oxoethyl]-2-cyano-2-propylpentanamide
CID 115356267

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-propylpentanamide?
The IUPAC name of 2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-propylpentanamide (CID 115360372) is 2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-propylpentanamide.
What is the SMILES notation for 2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-propylpentanamide?
The canonical SMILES for 2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-propylpentanamide is CCCC(C#N)(CCC)C(=O)NCC1(CO)CCCC1.
What is the InChIKey of 2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-propylpentanamide?
The InChIKey is MUPXTUCULMOFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-7-16(11-17,8-4-2)14(20)18-12-15(13-19)9-5-6-10-15/h19H,3-10,12-13H2,1-2H3,(H,18,20).
What are the key properties of 2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-propylpentanamide?
2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-propylpentanamide has a molecular weight of 280.41 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-propylpentanamide is sourced from PubChem (CID 115360372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).