(2S)-2-ethyl-2-hydroxy-4-methylpentanamide

C8H17NO2 — CID 175974916

IUPAC(2S)-2-ethyl-2-hydroxy-4-methylpentanamide
SMILESCC[C@](O)(CC(C)C)C(N)=O
InChIInChI=1S/C8H17NO2/c1-4-8(11,7(9)10)5-6(2)3/h6,11H,4-5H2,1-3H3,(H2,9,10)/t8-/m0/s1
InChIKeyQUOIBBLDLJLRAB-QMMMGPOBSA-N
MW159.23 g/mol
LogP0.66
Rot. Bonds4

About (2S)-2-ethyl-2-hydroxy-4-methylpentanamide

(2S)-2-ethyl-2-hydroxy-4-methylpentanamide (PubChem CID 175974916) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2S)-2-ethyl-2-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-ethyl-2-hydroxy-4-methylpentanamide
PubChem CID175974916
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2S)-2-ethyl-2-hydroxy-4-methylpentanamide
SMILESCC[C@](O)(CC(C)C)C(N)=O
InChIInChI=1S/C8H17NO2/c1-4-8(11,7(9)10)5-6(2)3/h6,11H,4-5H2,1-3H3,(H2,9,10)/t8-/m0/s1
InChIKeyQUOIBBLDLJLRAB-QMMMGPOBSA-N
XLogP0.66
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2,2-bis(2-methylpropyl)pentanamide
CID 170848547
2-ethyl-2-hydroxyhexanamide
CID 18943167
(2R)-2-amino-2,4-dimethylpentanamide
CID 14037824
3-hydroxy-5-methyl-3-(2-methylpropyl)hexanamide
CID 139781275
2,2-dihydroxybutanamide
CID 22465138
3-amino-5-methylhexan-3-ol
CID 19828897
(2S)-2,4-dimethyl-2-propan-2-ylpentanamide
CID 89006805
2-carbamoyl-2,4-dimethylpentanoic acid
CID 114899918
(2S)-2-amino-2-ethyl-4-methylpentanoic acid
CID 45122151
2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 89048903
4-amino-4-ethyl-2,2,6-trimethylheptan-3-one
CID 167343881
2-methylpropyl 2,2-diethylbutanoate
CID 139972882

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-2-hydroxy-4-methylpentanamide?
The IUPAC name of (2S)-2-ethyl-2-hydroxy-4-methylpentanamide (CID 175974916) is (2S)-2-ethyl-2-hydroxy-4-methylpentanamide.
What is the SMILES notation for (2S)-2-ethyl-2-hydroxy-4-methylpentanamide?
The canonical SMILES for (2S)-2-ethyl-2-hydroxy-4-methylpentanamide is CC[C@](O)(CC(C)C)C(N)=O.
What is the InChIKey of (2S)-2-ethyl-2-hydroxy-4-methylpentanamide?
The InChIKey is QUOIBBLDLJLRAB-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-8(11,7(9)10)5-6(2)3/h6,11H,4-5H2,1-3H3,(H2,9,10)/t8-/m0/s1.
What are the key properties of (2S)-2-ethyl-2-hydroxy-4-methylpentanamide?
(2S)-2-ethyl-2-hydroxy-4-methylpentanamide has a molecular weight of 159.23 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-2-hydroxy-4-methylpentanamide is sourced from PubChem (CID 175974916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).