N-(1-cyanobutan-2-yl)-4-hydroxybutanamide

C9H16N2O2 — CID 79193062

IUPACN-(1-cyanobutan-2-yl)-4-hydroxybutanamide
SMILESCCC(CC#N)NC(=O)CCCO
InChIInChI=1S/C9H16N2O2/c1-2-8(5-6-10)11-9(13)4-3-7-12/h8,12H,2-5,7H2,1H3,(H,11,13)
InChIKeyDRJGRNWEXNSCQH-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.57
Rot. Bonds6

About N-(1-cyanobutan-2-yl)-4-hydroxybutanamide

N-(1-cyanobutan-2-yl)-4-hydroxybutanamide (PubChem CID 79193062) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(1-cyanobutan-2-yl)-4-hydroxybutanamide.

Molecular Properties

Compound NameN-(1-cyanobutan-2-yl)-4-hydroxybutanamide
PubChem CID79193062
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-(1-cyanobutan-2-yl)-4-hydroxybutanamide
SMILESCCC(CC#N)NC(=O)CCCO
InChIInChI=1S/C9H16N2O2/c1-2-8(5-6-10)11-9(13)4-3-7-12/h8,12H,2-5,7H2,1H3,(H,11,13)
InChIKeyDRJGRNWEXNSCQH-UHFFFAOYSA-N
XLogP0.57
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanobutan-2-yl)-5-hydroxypentanamide
CID 79198918
6-amino-N-(1-cyanobutan-2-yl)hexanamide
CID 62645663
4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide
CID 79201131
2-(butan-2-ylamino)-N-(1-cyanobutan-2-yl)acetamide
CID 62645665
N-(1-cyanobutan-2-yl)-2-cyclopropylacetamide
CID 62645637
3-hydroxy-N-pentan-3-ylpropanamide
CID 57208434
1-(1-cyanobutan-2-yl)-3-ethylurea
CID 62647071
N-(1-hydroxybutan-2-yl)pentanamide
CID 43417907
4-hydroxy-N-octan-4-ylbutanamide
CID 106022325
2-amino-N-(1-cyanobutan-2-yl)propanamide
CID 62647087
N-pentan-3-yldocosanamide
CID 123339332
N-[(2S)-1-hydroxybutan-2-yl]hexanamide
CID 104981701

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutan-2-yl)-4-hydroxybutanamide?
The IUPAC name of N-(1-cyanobutan-2-yl)-4-hydroxybutanamide (CID 79193062) is N-(1-cyanobutan-2-yl)-4-hydroxybutanamide.
What is the SMILES notation for N-(1-cyanobutan-2-yl)-4-hydroxybutanamide?
The canonical SMILES for N-(1-cyanobutan-2-yl)-4-hydroxybutanamide is CCC(CC#N)NC(=O)CCCO.
What is the InChIKey of N-(1-cyanobutan-2-yl)-4-hydroxybutanamide?
The InChIKey is DRJGRNWEXNSCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-8(5-6-10)11-9(13)4-3-7-12/h8,12H,2-5,7H2,1H3,(H,11,13).
What are the key properties of N-(1-cyanobutan-2-yl)-4-hydroxybutanamide?
N-(1-cyanobutan-2-yl)-4-hydroxybutanamide has a molecular weight of 184.24 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutan-2-yl)-4-hydroxybutanamide is sourced from PubChem (CID 79193062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).