3-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]propanamide

C21H26N2O4 — CID 26660572

IUPAC3-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC(=O)Nc2cccc(C)c2C)cc1OC
InChIInChI=1S/C21H26N2O4/c1-14-6-5-7-17(15(14)2)23-21(25)13-22-20(24)11-9-16-8-10-18(26-3)19(12-16)27-4/h5-8,10,12H,9,11,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyNJXCCWNCSAOJIG-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.01
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]propanamide

3-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]propanamide (PubChem CID 26660572) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]propanamide
PubChem CID26660572
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC(=O)Nc2cccc(C)c2C)cc1OC
InChIInChI=1S/C21H26N2O4/c1-14-6-5-7-17(15(14)2)23-21(25)13-22-20(24)11-9-16-8-10-18(26-3)19(12-16)27-4/h5-8,10,12H,9,11,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyNJXCCWNCSAOJIG-UHFFFAOYSA-N
XLogP3.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7968949
2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 9058226
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 27781319
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113002282
3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)propanamide
CID 19220644
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18112877
N-[(3,4-dimethoxyphenyl)methyl]-N'-(2,3-dimethylphenyl)oxamide
CID 108985884
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9288108
3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide
CID 12822107
N-[2-(3-cyanoanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113001935
2-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide
CID 112998555
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558697

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]propanamide (CID 26660572) is 3-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]propanamide is COc1ccc(CCC(=O)NCC(=O)Nc2cccc(C)c2C)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]propanamide?
The InChIKey is NJXCCWNCSAOJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14-6-5-7-17(15(14)2)23-21(25)13-22-20(24)11-9-16-8-10-18(26-3)19(12-16)27-4/h5-8,10,12H,9,11,13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]propanamide has a molecular weight of 370.45 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]propanamide is sourced from PubChem (CID 26660572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).