2-(4-butylphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide

C16H25NO2 — CID 65037146

IUPAC2-(4-butylphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
SMILESCCCCc1ccc(CC(=O)NCC(C)CO)cc1
InChIInChI=1S/C16H25NO2/c1-3-4-5-14-6-8-15(9-7-14)10-16(19)17-11-13(2)12-18/h6-9,13,18H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyCDLWPSBOIMCWCA-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.32
Rot. Bonds8

About 2-(4-butylphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide

2-(4-butylphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide (PubChem CID 65037146) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(4-butylphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-butylphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
PubChem CID65037146
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(4-butylphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
SMILESCCCCc1ccc(CC(=O)NCC(C)CO)cc1
InChIInChI=1S/C16H25NO2/c1-3-4-5-14-6-8-15(9-7-14)10-16(19)17-11-13(2)12-18/h6-9,13,18H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyCDLWPSBOIMCWCA-UHFFFAOYSA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-butylphenyl)-N-(2-methylpropyl)acetamide
CID 60656279
3-[[2-(4-butylphenyl)acetyl]amino]-2-methylpropanoic acid
CID 62674607
(2S)-3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoic acid
CID 107832968
methyl 3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoate
CID 103879388
N-(3-hydroxy-2-methylpropyl)-4-phenylbutanamide
CID 65037096
2-(4-butylphenyl)-N-(4-hydroxybutyl)acetamide
CID 106843310
N-(3-hydroxy-2-methylpropyl)-2-(4-nitrophenyl)acetamide
CID 65032219
N-(3-aminobutyl)-2-(4-butylphenyl)acetamide;hydrochloride
CID 119499301
2-(4-butylphenyl)-N-(2-chloroprop-2-enyl)acetamide
CID 113238577
3-[[2-(4-butylphenyl)acetyl]amino]butanoic acid
CID 43172656
methyl 2-[[2-(4-butylphenyl)acetyl]amino]-3-hydroxypropanoate
CID 43408407
2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65036986

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-(4-butylphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide (CID 65037146) is 2-(4-butylphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-butylphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-butylphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide is CCCCc1ccc(CC(=O)NCC(C)CO)cc1.
What is the InChIKey of 2-(4-butylphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide?
The InChIKey is CDLWPSBOIMCWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-4-5-14-6-8-15(9-7-14)10-16(19)17-11-13(2)12-18/h6-9,13,18H,3-5,10-12H2,1-2H3,(H,17,19).
What are the key properties of 2-(4-butylphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide?
2-(4-butylphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide has a molecular weight of 263.38 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 65037146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).