2-(4-methoxyphenyl)-3-methyl-N-(3-methylbutyl)butanamide

C17H27NO2 — CID 110316942

IUPAC2-(4-methoxyphenyl)-3-methyl-N-(3-methylbutyl)butanamide
SMILESCOc1ccc(C(C(=O)NCCC(C)C)C(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-12(2)10-11-18-17(19)16(13(3)4)14-6-8-15(20-5)9-7-14/h6-9,12-13,16H,10-11H2,1-5H3,(H,18,19)
InChIKeyYNPRKIMEVYSXRM-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.60
Rot. Bonds7

About 2-(4-methoxyphenyl)-3-methyl-N-(3-methylbutyl)butanamide

2-(4-methoxyphenyl)-3-methyl-N-(3-methylbutyl)butanamide (PubChem CID 110316942) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-methyl-N-(3-methylbutyl)butanamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-methyl-N-(3-methylbutyl)butanamide
PubChem CID110316942
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(4-methoxyphenyl)-3-methyl-N-(3-methylbutyl)butanamide
SMILESCOc1ccc(C(C(=O)NCCC(C)C)C(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-12(2)10-11-18-17(19)16(13(3)4)14-6-8-15(20-5)9-7-14/h6-9,12-13,16H,10-11H2,1-5H3,(H,18,19)
InChIKeyYNPRKIMEVYSXRM-UHFFFAOYSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 110316901
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373
2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)butanamide
CID 110316912
2-(4-methoxyphenoxy)-N-(3-methylbutyl)butanamide
CID 21367307
2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 132760074
2-(4-methoxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide
CID 110312807
2-(4-methoxyphenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 110316930
1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 18884814
1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea
CID 110308848
methyl 4-[[2-(4-methoxyphenyl)-3-methylbutanoyl]amino]benzoate
CID 110316959
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214
N-cyclopentyl-2-(4-methoxyphenyl)-3-methylbutanamide
CID 110316904

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-methyl-N-(3-methylbutyl)butanamide?
The IUPAC name of 2-(4-methoxyphenyl)-3-methyl-N-(3-methylbutyl)butanamide (CID 110316942) is 2-(4-methoxyphenyl)-3-methyl-N-(3-methylbutyl)butanamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-methyl-N-(3-methylbutyl)butanamide?
The canonical SMILES for 2-(4-methoxyphenyl)-3-methyl-N-(3-methylbutyl)butanamide is COc1ccc(C(C(=O)NCCC(C)C)C(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-methyl-N-(3-methylbutyl)butanamide?
The InChIKey is YNPRKIMEVYSXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)10-11-18-17(19)16(13(3)4)14-6-8-15(20-5)9-7-14/h6-9,12-13,16H,10-11H2,1-5H3,(H,18,19).
What are the key properties of 2-(4-methoxyphenyl)-3-methyl-N-(3-methylbutyl)butanamide?
2-(4-methoxyphenyl)-3-methyl-N-(3-methylbutyl)butanamide has a molecular weight of 277.41 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-methyl-N-(3-methylbutyl)butanamide is sourced from PubChem (CID 110316942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).