(3S)-N,N-diethyl-3-hydroxybutanamide

C8H17NO2 — CID 11491976

IUPAC(3S)-N,N-diethyl-3-hydroxybutanamide
SMILESCCN(CC)C(=O)C[C@H](C)O
InChIInChI=1S/C8H17NO2/c1-4-9(5-2)8(11)6-7(3)10/h7,10H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyKEMFIWCUWVHWDK-ZETCQYMHSA-N
MW159.23 g/mol
LogP0.63
Rot. Bonds4

About (3S)-N,N-diethyl-3-hydroxybutanamide

(3S)-N,N-diethyl-3-hydroxybutanamide (PubChem CID 11491976) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (3S)-N,N-diethyl-3-hydroxybutanamide.

Molecular Properties

Compound Name(3S)-N,N-diethyl-3-hydroxybutanamide
PubChem CID11491976
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(3S)-N,N-diethyl-3-hydroxybutanamide
SMILESCCN(CC)C(=O)C[C@H](C)O
InChIInChI=1S/C8H17NO2/c1-4-9(5-2)8(11)6-7(3)10/h7,10H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyKEMFIWCUWVHWDK-ZETCQYMHSA-N
XLogP0.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-hydroxy-N,N-dimethylbutanamide
CID 11600674
(3R)-3-hydroxy-N,N-dimethylbutanamide
CID 11672674
1-(4-Hydroxypiperidin-1-yl)butan-1-one
CID 23295198
3-hydroxy-N,N-dimethylbutanamide
CID 13197444
n,n-Diethyl-3-hydroxy-3-methylbutanamide
CID 222422
(2S,3R)-N,N-diethyl-3-hydroxy-2-methylbutanamide
CID 135055119
(2S,3R)-N,N-diethyl-3-hydroxy-2,4-dimethylpentanamide
CID 135055120
(2S,3S)-N,N-diethyl-3-hydroxy-2,4-dimethylpentanamide
CID 135055401
(2S,3S)-N,N-diethyl-3-hydroxy-2-methylbutanamide
CID 135056810
(3R)-3-hydroxy-N,N-di(propan-2-yl)butanamide
CID 162405135
3-(2,2-difluoroethoxy)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 103209180
4,4,4-trifluoro-N-(3-hydroxybutyl)-N-methylbutanamide
CID 112233044

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-diethyl-3-hydroxybutanamide?
The IUPAC name of (3S)-N,N-diethyl-3-hydroxybutanamide (CID 11491976) is (3S)-N,N-diethyl-3-hydroxybutanamide.
What is the SMILES notation for (3S)-N,N-diethyl-3-hydroxybutanamide?
The canonical SMILES for (3S)-N,N-diethyl-3-hydroxybutanamide is CCN(CC)C(=O)C[C@H](C)O.
What is the InChIKey of (3S)-N,N-diethyl-3-hydroxybutanamide?
The InChIKey is KEMFIWCUWVHWDK-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-9(5-2)8(11)6-7(3)10/h7,10H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of (3S)-N,N-diethyl-3-hydroxybutanamide?
(3S)-N,N-diethyl-3-hydroxybutanamide has a molecular weight of 159.23 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-diethyl-3-hydroxybutanamide is sourced from PubChem (CID 11491976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).