2-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]butanamide

C15H23NO2 — CID 110779755

IUPAC2-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
SMILESCCC(CC)C(=O)NCc1ccc(OC)c(C)c1
InChIInChI=1S/C15H23NO2/c1-5-13(6-2)15(17)16-10-12-7-8-14(18-4)11(3)9-12/h7-9,13H,5-6,10H2,1-4H3,(H,16,17)
InChIKeyQPGJHQQVVPLNBY-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.06
Rot. Bonds6

About 2-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]butanamide

2-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]butanamide (PubChem CID 110779755) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
PubChem CID110779755
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
SMILESCCC(CC)C(=O)NCc1ccc(OC)c(C)c1
InChIInChI=1S/C15H23NO2/c1-5-13(6-2)15(17)16-10-12-7-8-14(18-4)11(3)9-12/h7-9,13H,5-6,10H2,1-4H3,(H,16,17)
InChIKeyQPGJHQQVVPLNBY-UHFFFAOYSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
CID 110779959
methyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate
CID 78781017
2-(hydroxymethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide
CID 115186688
N-[(4-ethoxy-3-methylphenyl)methyl]-2-(hydroxymethyl)butanamide
CID 115186556
methyl 2-[[(4-methoxy-3-methylphenyl)methylamino]methyl]butanoate
CID 115253119
methyl 2-[(4-methoxy-3-methylphenyl)methyl]butanoate
CID 116931262
2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide
CID 110779766
3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 115154159
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide
CID 108542599
N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 115165703
2-methyl-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide
CID 110782084
2-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide
CID 43778166

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]butanamide?
The IUPAC name of 2-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]butanamide (CID 110779755) is 2-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]butanamide?
The canonical SMILES for 2-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]butanamide is CCC(CC)C(=O)NCc1ccc(OC)c(C)c1.
What is the InChIKey of 2-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]butanamide?
The InChIKey is QPGJHQQVVPLNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-13(6-2)15(17)16-10-12-7-8-14(18-4)11(3)9-12/h7-9,13H,5-6,10H2,1-4H3,(H,16,17).
What are the key properties of 2-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]butanamide?
2-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]butanamide has a molecular weight of 249.35 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]butanamide is sourced from PubChem (CID 110779755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).