2-(4-butylphenyl)-N-(3-hydroxybutyl)-N-methylacetamide

C17H27NO2 — CID 115673298

IUPAC2-(4-butylphenyl)-N-(3-hydroxybutyl)-N-methylacetamide
SMILESCCCCc1ccc(CC(=O)N(C)CCC(C)O)cc1
InChIInChI=1S/C17H27NO2/c1-4-5-6-15-7-9-16(10-8-15)13-17(20)18(3)12-11-14(2)19/h7-10,14,19H,4-6,11-13H2,1-3H3
InChIKeyAROJPHCSVKJEKS-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.80
Rot. Bonds8

About 2-(4-butylphenyl)-N-(3-hydroxybutyl)-N-methylacetamide

2-(4-butylphenyl)-N-(3-hydroxybutyl)-N-methylacetamide (PubChem CID 115673298) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(4-butylphenyl)-N-(3-hydroxybutyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-butylphenyl)-N-(3-hydroxybutyl)-N-methylacetamide
PubChem CID115673298
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(4-butylphenyl)-N-(3-hydroxybutyl)-N-methylacetamide
SMILESCCCCc1ccc(CC(=O)N(C)CCC(C)O)cc1
InChIInChI=1S/C17H27NO2/c1-4-5-6-15-7-9-16(10-8-15)13-17(20)18(3)12-11-14(2)19/h7-10,14,19H,4-6,11-13H2,1-3H3
InChIKeyAROJPHCSVKJEKS-UHFFFAOYSA-N
XLogP2.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-oxoethyl)-2-(4-butylphenyl)-N-methylacetamide
CID 56813078
N-butan-2-yl-2-(4-butylphenyl)-N-methylacetamide
CID 78854085
N-(3-hydroxybutyl)-N-methyl-4-phenylbutanamide
CID 111695751
N-(3-hydroxybutyl)-2-(2-hydroxyphenyl)-N-methylacetamide
CID 115693680
2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxybutyl)-N-methylacetamide
CID 115691558
N-(3-hydroxybutyl)-N-methyl-2-(2-phenylethylsulfanyl)acetamide
CID 115691637
N-(3-hydroxybutyl)-N-methyl-2-naphthalen-1-ylacetamide
CID 111695871
2-(4-butylphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 46450100
N-butyl-2-(3,4-dihydroxyphenyl)-N-methylacetamide
CID 113199070
N-(3-aminobutyl)-2-(4-butylphenyl)acetamide;hydrochloride
CID 119499301
N-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 111695957
N-(3-amino-4-methylpentyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 81484430

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-N-(3-hydroxybutyl)-N-methylacetamide?
The IUPAC name of 2-(4-butylphenyl)-N-(3-hydroxybutyl)-N-methylacetamide (CID 115673298) is 2-(4-butylphenyl)-N-(3-hydroxybutyl)-N-methylacetamide.
What is the SMILES notation for 2-(4-butylphenyl)-N-(3-hydroxybutyl)-N-methylacetamide?
The canonical SMILES for 2-(4-butylphenyl)-N-(3-hydroxybutyl)-N-methylacetamide is CCCCc1ccc(CC(=O)N(C)CCC(C)O)cc1.
What is the InChIKey of 2-(4-butylphenyl)-N-(3-hydroxybutyl)-N-methylacetamide?
The InChIKey is AROJPHCSVKJEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-5-6-15-7-9-16(10-8-15)13-17(20)18(3)12-11-14(2)19/h7-10,14,19H,4-6,11-13H2,1-3H3.
What are the key properties of 2-(4-butylphenyl)-N-(3-hydroxybutyl)-N-methylacetamide?
2-(4-butylphenyl)-N-(3-hydroxybutyl)-N-methylacetamide has a molecular weight of 277.41 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-N-(3-hydroxybutyl)-N-methylacetamide is sourced from PubChem (CID 115673298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).