2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide

C13H27NO2 — CID 103899355

IUPAC2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
SMILESCCC(CC)C(=O)NCC(C)(C)CCCO
InChIInChI=1S/C13H27NO2/c1-5-11(6-2)12(16)14-10-13(3,4)8-7-9-15/h11,15H,5-10H2,1-4H3,(H,14,16)
InChIKeyOAMGGUHWFFRJQD-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.34
Rot. Bonds8

About 2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide

2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide (PubChem CID 103899355) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
PubChem CID103899355
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
SMILESCCC(CC)C(=O)NCC(C)(C)CCCO
InChIInChI=1S/C13H27NO2/c1-5-11(6-2)12(16)14-10-13(3,4)8-7-9-15/h11,15H,5-10H2,1-4H3,(H,14,16)
InChIKeyOAMGGUHWFFRJQD-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-Hydroxyethyl)-2,3-dimethyl-2-isopropylbutanamide
CID 22182807
9-(Hydroxymethyl)-1,5-diazacycloundecan-2-one
CID 110201498
N-(5-hydroxypentyl)butanamide
CID 15732298
N-isobutyl-5-hydroxypentanamide
CID 21618528
N-(2,2-diethyl-4-hydroxybutyl)-2-methylcyclopropane-1-carboxamide
CID 71917016
trans-(1R,3S)-3-(hydroxymethyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 91143684
4,4,4-trifluoro-N-(5-hydroxy-4-methylpentyl)butanamide
CID 103862001
3,3,3-trifluoro-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103862031
4,4,4-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 103899394
3,3,3-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
CID 103899402
2,2,2-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 103899670
2,2,3,3-tetrafluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
CID 103900103

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide?
The IUPAC name of 2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide (CID 103899355) is 2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide.
What is the SMILES notation for 2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide?
The canonical SMILES for 2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide is CCC(CC)C(=O)NCC(C)(C)CCCO.
What is the InChIKey of 2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide?
The InChIKey is OAMGGUHWFFRJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-11(6-2)12(16)14-10-13(3,4)8-7-9-15/h11,15H,5-10H2,1-4H3,(H,14,16).
What are the key properties of 2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide?
2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide has a molecular weight of 229.36 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide is sourced from PubChem (CID 103899355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).