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

C16H25NO2 — CID 110316901

IUPAC2-(4-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butanamide
SMILESCOc1ccc(C(C(=O)NCC(C)C)C(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-11(2)10-17-16(18)15(12(3)4)13-6-8-14(19-5)9-7-13/h6-9,11-12,15H,10H2,1-5H3,(H,17,18)
InChIKeyWSLJRKKFIJGMBF-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.21
Rot. Bonds6

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

2-(4-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butanamide (PubChem CID 110316901) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butanamide
PubChem CID110316901
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(4-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butanamide
SMILESCOc1ccc(C(C(=O)NCC(C)C)C(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-11(2)10-17-16(18)15(12(3)4)13-6-8-14(19-5)9-7-13/h6-9,11-12,15H,10H2,1-5H3,(H,17,18)
InChIKeyWSLJRKKFIJGMBF-UHFFFAOYSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)-3-methyl-N-(3-methylbutyl)butanamide
CID 110316942
2-(4-methoxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide
CID 110312807
2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)butanamide
CID 110316912
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
2-(4-methoxyphenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 110316930
(2R)-2-(7-methoxynaphthalen-2-yl)oxy-N-(2-methylpropyl)propanamide
CID 8949326
(2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one
CID 125480635
3-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-methoxypropanoic acid
CID 106107784
2-(4-methoxyphenyl)-3-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide
CID 110619593
(2S)-N-(2-hydroxypropyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 110901591

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butanamide?
The IUPAC name of 2-(4-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butanamide (CID 110316901) is 2-(4-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butanamide?
The canonical SMILES for 2-(4-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butanamide is COc1ccc(C(C(=O)NCC(C)C)C(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butanamide?
The InChIKey is WSLJRKKFIJGMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)10-17-16(18)15(12(3)4)13-6-8-14(19-5)9-7-13/h6-9,11-12,15H,10H2,1-5H3,(H,17,18).
What are the key properties of 2-(4-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butanamide?
2-(4-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butanamide has a molecular weight of 263.38 g/mol, XLogP of 3.21, 6 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-(2-methylpropyl)butanamide is sourced from PubChem (CID 110316901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).