2-cyano-N-(1-hydroxy-3-methoxypropan-2-yl)-2-propylpentanamide

C13H24N2O3 — CID 106188923

IUPAC2-cyano-N-(1-hydroxy-3-methoxypropan-2-yl)-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NC(CO)COC
InChIInChI=1S/C13H24N2O3/c1-4-6-13(10-14,7-5-2)12(17)15-11(8-16)9-18-3/h11,16H,4-9H2,1-3H3,(H,15,17)
InChIKeyZSUQOABHYSNNPQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.22
Rot. Bonds9

About 2-cyano-N-(1-hydroxy-3-methoxypropan-2-yl)-2-propylpentanamide

2-cyano-N-(1-hydroxy-3-methoxypropan-2-yl)-2-propylpentanamide (PubChem CID 106188923) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-cyano-N-(1-hydroxy-3-methoxypropan-2-yl)-2-propylpentanamide.

Molecular Properties

Compound Name2-cyano-N-(1-hydroxy-3-methoxypropan-2-yl)-2-propylpentanamide
PubChem CID106188923
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-cyano-N-(1-hydroxy-3-methoxypropan-2-yl)-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NC(CO)COC
InChIInChI=1S/C13H24N2O3/c1-4-6-13(10-14,7-5-2)12(17)15-11(8-16)9-18-3/h11,16H,4-9H2,1-3H3,(H,15,17)
InChIKeyZSUQOABHYSNNPQ-UHFFFAOYSA-N
XLogP1.22
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-cyano-2-propylpentanoyl)amino]-3-hydroxypropanoate
CID 107856877
2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]-2-propylpentanamide
CID 107863380
2-cyano-N-hex-1-yn-3-yl-2-propylpentanamide
CID 114161366
2-cyano-N-(5-hydroxy-4-methylpentyl)-2-propylpentanamide
CID 106161676
2-cyano-N-(2-methoxy-2-methylpropyl)-2-propylpentanamide
CID 113450294
2-cyano-N',N'-dimethyl-2-propylpentanehydrazide
CID 83016357
2-cyano-2-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)butanamide
CID 79250416
2-cyano-2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]butanamide
CID 79249849
butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate
CID 88937334
2-cyano-N-(1-cyclohexylethyl)-2-propylpentanamide
CID 62405447
2-[(2-cyano-2-propylpentanoyl)amino]ethyl carbamate
CID 83210197
2-cyano-N-(3-propoxypropyl)-2-propylpentanamide
CID 82941499

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-hydroxy-3-methoxypropan-2-yl)-2-propylpentanamide?
The IUPAC name of 2-cyano-N-(1-hydroxy-3-methoxypropan-2-yl)-2-propylpentanamide (CID 106188923) is 2-cyano-N-(1-hydroxy-3-methoxypropan-2-yl)-2-propylpentanamide.
What is the SMILES notation for 2-cyano-N-(1-hydroxy-3-methoxypropan-2-yl)-2-propylpentanamide?
The canonical SMILES for 2-cyano-N-(1-hydroxy-3-methoxypropan-2-yl)-2-propylpentanamide is CCCC(C#N)(CCC)C(=O)NC(CO)COC.
What is the InChIKey of 2-cyano-N-(1-hydroxy-3-methoxypropan-2-yl)-2-propylpentanamide?
The InChIKey is ZSUQOABHYSNNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-6-13(10-14,7-5-2)12(17)15-11(8-16)9-18-3/h11,16H,4-9H2,1-3H3,(H,15,17).
What are the key properties of 2-cyano-N-(1-hydroxy-3-methoxypropan-2-yl)-2-propylpentanamide?
2-cyano-N-(1-hydroxy-3-methoxypropan-2-yl)-2-propylpentanamide has a molecular weight of 256.35 g/mol, XLogP of 1.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-hydroxy-3-methoxypropan-2-yl)-2-propylpentanamide is sourced from PubChem (CID 106188923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).