2-cyano-N-(3-hydroxy-2-methylpropyl)pentanamide

C10H18N2O2 — CID 65036419

IUPAC2-cyano-N-(3-hydroxy-2-methylpropyl)pentanamide
SMILESCCCC(C#N)C(=O)NCC(C)CO
InChIInChI=1S/C10H18N2O2/c1-3-4-9(5-11)10(14)12-6-8(2)7-13/h8-9,13H,3-4,6-7H2,1-2H3,(H,12,14)
InChIKeyKJGIUVDNXKEPEM-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.67
Rot. Bonds6

About 2-cyano-N-(3-hydroxy-2-methylpropyl)pentanamide

2-cyano-N-(3-hydroxy-2-methylpropyl)pentanamide (PubChem CID 65036419) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-cyano-N-(3-hydroxy-2-methylpropyl)pentanamide.

Molecular Properties

Compound Name2-cyano-N-(3-hydroxy-2-methylpropyl)pentanamide
PubChem CID65036419
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-cyano-N-(3-hydroxy-2-methylpropyl)pentanamide
SMILESCCCC(C#N)C(=O)NCC(C)CO
InChIInChI=1S/C10H18N2O2/c1-3-4-9(5-11)10(14)12-6-8(2)7-13/h8-9,13H,3-4,6-7H2,1-2H3,(H,12,14)
InChIKeyKJGIUVDNXKEPEM-UHFFFAOYSA-N
XLogP0.67
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(2,3,3-trimethylbutyl)pentanamide
CID 83141331
2-cyano-N-[2-(2-hydroxyethyl)pentyl]pentanamide
CID 106116827
2-cyano-N-[(2R)-1-hydroxypropan-2-yl]pentanamide
CID 107860521
2-cyano-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384976
N-(2-cyanopropyl)-2-propylpentanamide
CID 115532839
2-cyano-N-[1-(dimethylamino)propan-2-yl]pentanamide
CID 82938971
2-cyano-N-(1H-imidazol-2-ylmethyl)pentanamide
CID 64530573
N-(3-hydroxy-2-methylpropyl)-2-methoxypropanamide
CID 115701678
2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]pentanamide
CID 107863374
2-cyano-N-[3-(2-methoxyethylamino)-3-oxopropyl]pentanamide
CID 113410594
4-amino-N-(3-hydroxy-2-methylpropyl)-2-methylbutanamide
CID 80544789
2-cyano-N-[(5-ethylthiophen-2-yl)methyl]pentanamide
CID 114137027

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-hydroxy-2-methylpropyl)pentanamide?
The IUPAC name of 2-cyano-N-(3-hydroxy-2-methylpropyl)pentanamide (CID 65036419) is 2-cyano-N-(3-hydroxy-2-methylpropyl)pentanamide.
What is the SMILES notation for 2-cyano-N-(3-hydroxy-2-methylpropyl)pentanamide?
The canonical SMILES for 2-cyano-N-(3-hydroxy-2-methylpropyl)pentanamide is CCCC(C#N)C(=O)NCC(C)CO.
What is the InChIKey of 2-cyano-N-(3-hydroxy-2-methylpropyl)pentanamide?
The InChIKey is KJGIUVDNXKEPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-4-9(5-11)10(14)12-6-8(2)7-13/h8-9,13H,3-4,6-7H2,1-2H3,(H,12,14).
What are the key properties of 2-cyano-N-(3-hydroxy-2-methylpropyl)pentanamide?
2-cyano-N-(3-hydroxy-2-methylpropyl)pentanamide has a molecular weight of 198.27 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-hydroxy-2-methylpropyl)pentanamide is sourced from PubChem (CID 65036419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).