3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide;oxalic acid

C22H28N2O7 — CID 171154507

IUPAC3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide;oxalic acid
SMILESCCN(CCC(=O)Nc1ccc(OC)cc1OC)Cc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C20H26N2O3.C2H2O4/c1-4-22(15-16-8-6-5-7-9-16)13-12-20(23)21-18-11-10-17(24-2)14-19(18)25-3;3-1(4)2(5)6/h5-11,14H,4,12-13,15H2,1-3H3,(H,21,23);(H,3,4)(H,5,6)
InChIKeyXGEZKYGHIXYEBW-UHFFFAOYSA-N
MW432.47 g/mol
LogP2.71
Rot. Bonds9

About 3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide;oxalic acid

3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide;oxalic acid (PubChem CID 171154507) has the molecular formula C22H28N2O7 and a molecular weight of 432.47 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide;oxalic acid.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide;oxalic acid
PubChem CID171154507
Molecular FormulaC22H28N2O7
Molecular Weight432.47 g/mol
Exact Mass432.19
IUPAC Name3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide;oxalic acid
SMILESCCN(CCC(=O)Nc1ccc(OC)cc1OC)Cc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C20H26N2O3.C2H2O4/c1-4-22(15-16-8-6-5-7-9-16)13-12-20(23)21-18-11-10-17(24-2)14-19(18)25-3;3-1(4)2(5)6/h5-11,14H,4,12-13,15H2,1-3H3,(H,21,23);(H,3,4)(H,5,6)
InChIKeyXGEZKYGHIXYEBW-UHFFFAOYSA-N
XLogP2.71
TPSA125.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 4284031
3-[benzyl(ethyl)amino]-N-(3,5-dimethoxyphenyl)propanamide
CID 1340180
N'-benzyl-N-(2,4-dimethoxyphenyl)-N'-ethylpropanediamide
CID 108947379
3-[benzyl(ethyl)amino]-N-(2-phenoxyphenyl)propanamide
CID 109023136
3-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 109023106
methyl 2-[3-[benzyl(ethyl)amino]propanoylamino]benzoate
CID 109023113
N-(5-amino-2-methoxyphenyl)-4-[benzyl(ethyl)amino]butanamide
CID 113222024
ethyl 3-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]propanoate
CID 42697513
N-benzyl-3-(2,4-dimethoxyanilino)-N-ethylpropanamide
CID 109022967
3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113128824
N-(2,4-dimethoxyphenyl)-3-(3-phenylpropylamino)propanamide
CID 109030966
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 113120669

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide;oxalic acid?
The IUPAC name of 3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide;oxalic acid (CID 171154507) is 3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide;oxalic acid.
What is the SMILES notation for 3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide;oxalic acid?
The canonical SMILES for 3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide;oxalic acid is CCN(CCC(=O)Nc1ccc(OC)cc1OC)Cc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of 3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide;oxalic acid?
The InChIKey is XGEZKYGHIXYEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3.C2H2O4/c1-4-22(15-16-8-6-5-7-9-16)13-12-20(23)21-18-11-10-17(24-2)14-19(18)25-3;3-1(4)2(5)6/h5-11,14H,4,12-13,15H2,1-3H3,(H,21,23);(H,3,4)(H,5,6).
What are the key properties of 3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide;oxalic acid?
3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide;oxalic acid has a molecular weight of 432.47 g/mol, XLogP of 2.71, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide;oxalic acid is sourced from PubChem (CID 171154507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).