2-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]butanamide

C12H25NO2 — CID 39243603

IUPAC2-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]butanamide
SMILESCCC(CC)C(=O)N[C@H](CO)CC(C)C
InChIInChI=1S/C12H25NO2/c1-5-10(6-2)12(15)13-11(8-14)7-9(3)4/h9-11,14H,5-8H2,1-4H3,(H,13,15)/t11-/m0/s1
InChIKeyQYWDQAMUXBMHKR-NSHDSACASA-N
MW215.34 g/mol
LogP1.95
Rot. Bonds7

About 2-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]butanamide

2-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]butanamide (PubChem CID 39243603) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]butanamide
PubChem CID39243603
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]butanamide
SMILESCCC(CC)C(=O)N[C@H](CO)CC(C)C
InChIInChI=1S/C12H25NO2/c1-5-10(6-2)12(15)13-11(8-14)7-9(3)4/h9-11,14H,5-8H2,1-4H3,(H,13,15)/t11-/m0/s1
InChIKeyQYWDQAMUXBMHKR-NSHDSACASA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-Hydroxyethyl)-2,3-dimethyl-2-isopropylbutanamide
CID 22182807
N-[2-(1-hydroxy-4-methylpentyl)]acetamide
CID 25759525
CID 53833043
CID 53833043
N-(1-hydroxypropan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 11217870
N-(1-hydroxybutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 11218142
N-[(2S)-1,3-Dihydroxybutan-2-yl]-3-methylbutanamide
CID 44421758
2,2,2-trifluoro-N-[(2s,3s)-1-hydroxy-3-methylpentan-2-yl]-acetamide
CID 129774022
Valeramide, N-(2-hydroxyethyl)-2-propyl-
CID 3014173
Acetylleucine monoethanolamine
CID 21863090
Acetyl-L-leucine monoethanolamine
CID 53630034
2,2,2-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61246688
Ethylhexanamide serinol
CID 65314993

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]butanamide?
The IUPAC name of 2-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]butanamide (CID 39243603) is 2-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]butanamide.
What is the SMILES notation for 2-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]butanamide?
The canonical SMILES for 2-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]butanamide is CCC(CC)C(=O)N[C@H](CO)CC(C)C.
What is the InChIKey of 2-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]butanamide?
The InChIKey is QYWDQAMUXBMHKR-NSHDSACASA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-10(6-2)12(15)13-11(8-14)7-9(3)4/h9-11,14H,5-8H2,1-4H3,(H,13,15)/t11-/m0/s1.
What are the key properties of 2-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]butanamide?
2-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]butanamide has a molecular weight of 215.34 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]butanamide is sourced from PubChem (CID 39243603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).