3-hydroxy-N-pentan-3-ylpropanamide

C8H17NO2 — CID 57208434

IUPAC3-hydroxy-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)CCO
InChIInChI=1S/C8H17NO2/c1-3-7(4-2)9-8(11)5-6-10/h7,10H,3-6H2,1-2H3,(H,9,11)
InChIKeyLDWLVADFSKILCR-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.67
Rot. Bonds5

About 3-hydroxy-N-pentan-3-ylpropanamide

3-hydroxy-N-pentan-3-ylpropanamide (PubChem CID 57208434) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-hydroxy-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name3-hydroxy-N-pentan-3-ylpropanamide
PubChem CID57208434
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-hydroxy-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)CCO
InChIInChI=1S/C8H17NO2/c1-3-7(4-2)9-8(11)5-6-10/h7,10H,3-6H2,1-2H3,(H,9,11)
InChIKeyLDWLVADFSKILCR-UHFFFAOYSA-N
XLogP0.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-pentan-3-ylpropanamide
CID 16783824
4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide
CID 79201131
N-pentan-3-yldocosanamide
CID 123339332
N-[(2S)-1-hydroxybutan-2-yl]hexanamide
CID 104981701
4-chloro-N-pentan-3-ylbutanamide
CID 16788679
N-(1-hydroxybutan-2-yl)pentanamide
CID 43417907
N-(1-hydroxypentan-3-yl)-4,4-dimethylpentanamide
CID 109479134
N-(1-hydroxypentan-3-yl)pent-4-ynamide
CID 107262073
N-(1-cyanobutan-2-yl)-4-hydroxybutanamide
CID 79193062
(2S)-2-(3-hydroxypropanoylamino)propanoic acid
CID 126726083
5-amino-N-pentan-3-ylhexanamide
CID 82848944
N-[(2R)-1-hydroxybutan-2-yl]-3-methoxypropanamide
CID 103920011

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-pentan-3-ylpropanamide?
The IUPAC name of 3-hydroxy-N-pentan-3-ylpropanamide (CID 57208434) is 3-hydroxy-N-pentan-3-ylpropanamide.
What is the SMILES notation for 3-hydroxy-N-pentan-3-ylpropanamide?
The canonical SMILES for 3-hydroxy-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)CCO.
What is the InChIKey of 3-hydroxy-N-pentan-3-ylpropanamide?
The InChIKey is LDWLVADFSKILCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-7(4-2)9-8(11)5-6-10/h7,10H,3-6H2,1-2H3,(H,9,11).
What are the key properties of 3-hydroxy-N-pentan-3-ylpropanamide?
3-hydroxy-N-pentan-3-ylpropanamide has a molecular weight of 159.23 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-pentan-3-ylpropanamide is sourced from PubChem (CID 57208434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).