2-(4-ethylphenyl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide

C17H27NO2 — CID 111483772

IUPAC2-(4-ethylphenyl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide
SMILESCCc1ccc(C(C)C(=O)NCC(C)(O)C(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-6-14-7-9-15(10-8-14)13(4)16(19)18-11-17(5,20)12(2)3/h7-10,12-13,20H,6,11H2,1-5H3,(H,18,19)
InChIKeyXUJUAVRSYJGOSD-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.88
Rot. Bonds6

About 2-(4-ethylphenyl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide

2-(4-ethylphenyl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide (PubChem CID 111483772) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide
PubChem CID111483772
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(4-ethylphenyl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide
SMILESCCc1ccc(C(C)C(=O)NCC(C)(O)C(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-6-14-7-9-15(10-8-14)13(4)16(19)18-11-17(5,20)12(2)3/h7-10,12-13,20H,6,11H2,1-5H3,(H,18,19)
InChIKeyXUJUAVRSYJGOSD-UHFFFAOYSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide
CID 111484349
1-(2-hydroxy-2,3-dimethylbutyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111120894
2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 144745057
N-(3,3-dimethylbutyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 118460057
(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen
CID 166540473
5-chloro-N-(2-hydroxy-2,3-dimethylbutyl)furan-2-carboxamide
CID 111483845
N-ethyl-1-[[(2S)-2-(4-ethylphenyl)propanoyl]amino]cyclopentane-1-carboxamide
CID 124853429
N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484208
2-(4-ethylphenyl)-N-[1-(hydroxymethyl)cyclopentyl]propanamide
CID 110008494
N-(2-hydroxy-2,3-dimethylbutyl)-3-phenylpentanamide
CID 111484060
(2R)-2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 103928673
2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 76887263

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide?
The IUPAC name of 2-(4-ethylphenyl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide (CID 111483772) is 2-(4-ethylphenyl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide.
What is the SMILES notation for 2-(4-ethylphenyl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide?
The canonical SMILES for 2-(4-ethylphenyl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide is CCc1ccc(C(C)C(=O)NCC(C)(O)C(C)C)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide?
The InChIKey is XUJUAVRSYJGOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-14-7-9-15(10-8-14)13(4)16(19)18-11-17(5,20)12(2)3/h7-10,12-13,20H,6,11H2,1-5H3,(H,18,19).
What are the key properties of 2-(4-ethylphenyl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide?
2-(4-ethylphenyl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide has a molecular weight of 277.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide is sourced from PubChem (CID 111483772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).