N-benzyl-3-(2,4-dimethoxyanilino)-N-ethylpropanamide

C20H26N2O3 — CID 109022967

IUPACN-benzyl-3-(2,4-dimethoxyanilino)-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCNc1ccc(OC)cc1OC
InChIInChI=1S/C20H26N2O3/c1-4-22(15-16-8-6-5-7-9-16)20(23)12-13-21-18-11-10-17(24-2)14-19(18)25-3/h5-11,14,21H,4,12-13,15H2,1-3H3
InChIKeyZRHJKSFZOJKLDL-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.55
Rot. Bonds9

About N-benzyl-3-(2,4-dimethoxyanilino)-N-ethylpropanamide

N-benzyl-3-(2,4-dimethoxyanilino)-N-ethylpropanamide (PubChem CID 109022967) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-benzyl-3-(2,4-dimethoxyanilino)-N-ethylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(2,4-dimethoxyanilino)-N-ethylpropanamide
PubChem CID109022967
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-benzyl-3-(2,4-dimethoxyanilino)-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCNc1ccc(OC)cc1OC
InChIInChI=1S/C20H26N2O3/c1-4-22(15-16-8-6-5-7-9-16)20(23)12-13-21-18-11-10-17(24-2)14-19(18)25-3/h5-11,14,21H,4,12-13,15H2,1-3H3
InChIKeyZRHJKSFZOJKLDL-UHFFFAOYSA-N
XLogP3.55
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-N-(2,4-dimethoxyphenyl)-N'-ethylpropanediamide
CID 108947379
N-benzyl-N-ethyl-3-(2-phenoxyanilino)propanamide
CID 109023002
N-benzyl-3-(2,5-dimethoxyanilino)-N-phenylpropanamide
CID 109040385
N-benzyl-N-ethyl-3-(2,3,4-trifluoroanilino)propanamide
CID 109023020
ethyl 3-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]propanoate
CID 42697513
3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 4284031
ethyl 3-(2,4-dimethoxyanilino)propanoate
CID 23052898
N-benzyl-N-ethyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109022877
N-benzyl-2-(2,4-dimethoxyanilino)-N-ethylpyridine-4-carboxamide
CID 109171538
N-benzyl-N-ethyl-2,4,6-trimethoxybenzamide
CID 110764638
3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide;oxalic acid
CID 171154507
3-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039741

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2,4-dimethoxyanilino)-N-ethylpropanamide?
The IUPAC name of N-benzyl-3-(2,4-dimethoxyanilino)-N-ethylpropanamide (CID 109022967) is N-benzyl-3-(2,4-dimethoxyanilino)-N-ethylpropanamide.
What is the SMILES notation for N-benzyl-3-(2,4-dimethoxyanilino)-N-ethylpropanamide?
The canonical SMILES for N-benzyl-3-(2,4-dimethoxyanilino)-N-ethylpropanamide is CCN(Cc1ccccc1)C(=O)CCNc1ccc(OC)cc1OC.
What is the InChIKey of N-benzyl-3-(2,4-dimethoxyanilino)-N-ethylpropanamide?
The InChIKey is ZRHJKSFZOJKLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-22(15-16-8-6-5-7-9-16)20(23)12-13-21-18-11-10-17(24-2)14-19(18)25-3/h5-11,14,21H,4,12-13,15H2,1-3H3.
What are the key properties of N-benzyl-3-(2,4-dimethoxyanilino)-N-ethylpropanamide?
N-benzyl-3-(2,4-dimethoxyanilino)-N-ethylpropanamide has a molecular weight of 342.44 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2,4-dimethoxyanilino)-N-ethylpropanamide is sourced from PubChem (CID 109022967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).