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

C12H25NO2 — CID 61246170

IUPAC2-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)butanamide
SMILESCCC(CC)C(=O)NC(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)
InChIKeyQYWDQAMUXBMHKR-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.95
Rot. Bonds7

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

2-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)butanamide (PubChem CID 61246170) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)butanamide
PubChem CID61246170
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)butanamide
SMILESCCC(CC)C(=O)NC(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)
InChIKeyQYWDQAMUXBMHKR-UHFFFAOYSA-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

2-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)butanamide
CID 65228765
N-(1-hydroxy-4-methylpentan-2-yl)-2-propylpentanamide
CID 82987600
(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylpentanamide
CID 61246451
(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61245278
2-amino-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247041
2-amino-N-(1-hydroxybutan-2-yl)-4-methylpentanamide
CID 43500021
N-[(2R)-1-hydroxybutan-2-yl]-2-methylbutanamide
CID 103919845
1-ethyl-3-(1-hydroxy-4-methylpentan-2-yl)-1-methylurea
CID 79159484
2-(carbamoylamino)-N-[(2R)-1-hydroxybutan-2-yl]-4-methylpentanamide
CID 113498876
2-(carbamoylamino)-N-(1-hydroxybutan-2-yl)-4-methylpentanamide
CID 43428008
(2S)-2-bromo-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]hexanamide
CID 10780106
1-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylurea
CID 61246689

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)butanamide?
The IUPAC name of 2-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)butanamide (CID 61246170) is 2-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)butanamide.
What is the SMILES notation for 2-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)butanamide?
The canonical SMILES for 2-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)butanamide is CCC(CC)C(=O)NC(CO)CC(C)C.
What is the InChIKey of 2-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)butanamide?
The InChIKey is QYWDQAMUXBMHKR-UHFFFAOYSA-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).
What are the key properties of 2-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)butanamide?
2-ethyl-N-(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-(1-hydroxy-4-methylpentan-2-yl)butanamide is sourced from PubChem (CID 61246170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).