3-(2,4-dimethoxyphenyl)-N,4-dimethylpentanamide

C15H23NO3 — CID 112509523

IUPAC3-(2,4-dimethoxyphenyl)-N,4-dimethylpentanamide
SMILESCNC(=O)CC(c1ccc(OC)cc1OC)C(C)C
InChIInChI=1S/C15H23NO3/c1-10(2)13(9-15(17)16-3)12-7-6-11(18-4)8-14(12)19-5/h6-8,10,13H,9H2,1-5H3,(H,16,17)
InChIKeyMSILCUMBASGTCL-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.58
Rot. Bonds6

About 3-(2,4-dimethoxyphenyl)-N,4-dimethylpentanamide

3-(2,4-dimethoxyphenyl)-N,4-dimethylpentanamide (PubChem CID 112509523) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-N,4-dimethylpentanamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-N,4-dimethylpentanamide
PubChem CID112509523
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-(2,4-dimethoxyphenyl)-N,4-dimethylpentanamide
SMILESCNC(=O)CC(c1ccc(OC)cc1OC)C(C)C
InChIInChI=1S/C15H23NO3/c1-10(2)13(9-15(17)16-3)12-7-6-11(18-4)8-14(12)19-5/h6-8,10,13H,9H2,1-5H3,(H,16,17)
InChIKeyMSILCUMBASGTCL-UHFFFAOYSA-N
XLogP2.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethoxyphenyl)-4-methylpentanoic acid
CID 19348600
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 4163313
methyl 2-[4-tert-butyl-3-[[3-(2,4-dimethoxyphenyl)-4-methylpentanoyl]amino]phenyl]acetate
CID 139784294
2-[4-tert-butyl-3-[[3-(2,4-dimethoxyphenyl)-4-methylpentanoyl]amino]phenyl]acetic acid
CID 139784302
(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 131874680
2-(2,4-dimethoxyphenyl)-N'-methylpropanehydrazide
CID 116847010
3-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanoic acid
CID 116953323
4-amino-4-(2,4-dimethoxyphenyl)butan-2-one
CID 116940526
2-(2,4-dimethoxyanilino)-N-methylacetamide
CID 26510077
2-(2,4-dimethoxyphenyl)-2-(methylamino)acetamide
CID 60797020
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
methyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171246679

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-N,4-dimethylpentanamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-N,4-dimethylpentanamide (CID 112509523) is 3-(2,4-dimethoxyphenyl)-N,4-dimethylpentanamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-N,4-dimethylpentanamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-N,4-dimethylpentanamide is CNC(=O)CC(c1ccc(OC)cc1OC)C(C)C.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-N,4-dimethylpentanamide?
The InChIKey is MSILCUMBASGTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(2)13(9-15(17)16-3)12-7-6-11(18-4)8-14(12)19-5/h6-8,10,13H,9H2,1-5H3,(H,16,17).
What are the key properties of 3-(2,4-dimethoxyphenyl)-N,4-dimethylpentanamide?
3-(2,4-dimethoxyphenyl)-N,4-dimethylpentanamide has a molecular weight of 265.35 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-N,4-dimethylpentanamide is sourced from PubChem (CID 112509523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).