N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide

C20H26N2O4 — CID 74230940

IUPACN-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
SMILESCCC(NC(=O)CCn1c(C)cccc1=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H26N2O4/c1-5-16(15-9-10-17(25-3)18(13-15)26-4)21-19(23)11-12-22-14(2)7-6-8-20(22)24/h6-10,13,16H,5,11-12H2,1-4H3,(H,21,23)
InChIKeyZICGUFJHZRHCHJ-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.83
Rot. Bonds8

About N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide

N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide (PubChem CID 74230940) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
PubChem CID74230940
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC NameN-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
SMILESCCC(NC(=O)CCn1c(C)cccc1=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H26N2O4/c1-5-16(15-9-10-17(25-3)18(13-15)26-4)21-19(23)11-12-22-14(2)7-6-8-20(22)24/h6-10,13,16H,5,11-12H2,1-4H3,(H,21,23)
InChIKeyZICGUFJHZRHCHJ-UHFFFAOYSA-N
XLogP2.83
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 82031244
N-[1-(3,4-dimethoxyphenyl)propyl]-4-phenoxybutanamide
CID 132653922
3-(2-methyl-6-oxo-1-pyridinyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]propanamide
CID 126441957
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-2-(2-methylphenoxy)acetamide
CID 99993393
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenyl)acetamide
CID 133201762
3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 100604900
3-(4-tert-butylphenyl)-N-[1-(3,4-dimethoxyphenyl)propyl]propanamide
CID 132657824
2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methylphenyl)propyl]acetamide
CID 132761737
3-(3,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]propanamide
CID 100597392
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220
N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 51983397
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]butanamide
CID 100526251

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide (CID 74230940) is N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide is CCC(NC(=O)CCn1c(C)cccc1=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide?
The InChIKey is ZICGUFJHZRHCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-5-16(15-9-10-17(25-3)18(13-15)26-4)21-19(23)11-12-22-14(2)7-6-8-20(22)24/h6-10,13,16H,5,11-12H2,1-4H3,(H,21,23).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide?
N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide has a molecular weight of 358.44 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 74230940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).