4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide

C8H17NO3 — CID 79201131

IUPAC4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide
SMILESCCC(CO)NC(=O)CCCO
InChIInChI=1S/C8H17NO3/c1-2-7(6-11)9-8(12)4-3-5-10/h7,10-11H,2-6H2,1H3,(H,9,12)
InChIKeyCQUFBTMJPQWNES-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.35
Rot. Bonds6

About 4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide

4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide (PubChem CID 79201131) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide
PubChem CID79201131
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide
SMILESCCC(CO)NC(=O)CCCO
InChIInChI=1S/C8H17NO3/c1-2-7(6-11)9-8(12)4-3-5-10/h7,10-11H,2-6H2,1H3,(H,9,12)
InChIKeyCQUFBTMJPQWNES-UHFFFAOYSA-N
XLogP-0.35
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxybutan-2-yl)pentanamide
CID 43417907
N-[(2S)-1-hydroxybutan-2-yl]hexanamide
CID 104981701
N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybutanamide
CID 104981240
4-ethoxy-N-(1-hydroxybutan-2-yl)butanamide
CID 112728067
N-(1-cyanobutan-2-yl)-4-hydroxybutanamide
CID 79193062
3-hydroxy-N-pentan-3-ylpropanamide
CID 57208434
N-[(2S)-1-hydroxybutan-2-yl]-2-(methylamino)acetamide
CID 107222412
N-[(2R)-1-hydroxybutan-2-yl]-3-methoxypropanamide
CID 103920011
N-[4-(1-hydroxybutan-2-ylamino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 43417934
N-(1,3-dihydroxypropan-2-yl)tridecanamide
CID 87498301
4-hydroxy-N-octan-4-ylbutanamide
CID 106022325
N-(1-cyanobutan-2-yl)-5-hydroxypentanamide
CID 79198918

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide?
The IUPAC name of 4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide (CID 79201131) is 4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide.
What is the SMILES notation for 4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide?
The canonical SMILES for 4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide is CCC(CO)NC(=O)CCCO.
What is the InChIKey of 4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide?
The InChIKey is CQUFBTMJPQWNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-2-7(6-11)9-8(12)4-3-5-10/h7,10-11H,2-6H2,1H3,(H,9,12).
What are the key properties of 4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide?
4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide has a molecular weight of 175.23 g/mol, XLogP of -0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide is sourced from PubChem (CID 79201131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).