N-(2,4-dimethoxyphenyl)-3-[(2-ethylanilino)methyl]benzamide

C24H26N2O3 — CID 84554519

IUPACN-(2,4-dimethoxyphenyl)-3-[(2-ethylanilino)methyl]benzamide
SMILESCCc1ccccc1NCc1cccc(C(=O)Nc2ccc(OC)cc2OC)c1
InChIInChI=1S/C24H26N2O3/c1-4-18-9-5-6-11-21(18)25-16-17-8-7-10-19(14-17)24(27)26-22-13-12-20(28-2)15-23(22)29-3/h5-15,25H,4,16H2,1-3H3,(H,26,27)
InChIKeyIIINKHAJOAOZJT-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.13
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-3-[(2-ethylanilino)methyl]benzamide

N-(2,4-dimethoxyphenyl)-3-[(2-ethylanilino)methyl]benzamide (PubChem CID 84554519) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-[(2-ethylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-[(2-ethylanilino)methyl]benzamide
PubChem CID84554519
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-(2,4-dimethoxyphenyl)-3-[(2-ethylanilino)methyl]benzamide
SMILESCCc1ccccc1NCc1cccc(C(=O)Nc2ccc(OC)cc2OC)c1
InChIInChI=1S/C24H26N2O3/c1-4-18-9-5-6-11-21(18)25-16-17-8-7-10-19(14-17)24(27)26-22-13-12-20(28-2)15-23(22)29-3/h5-15,25H,4,16H2,1-3H3,(H,26,27)
InChIKeyIIINKHAJOAOZJT-UHFFFAOYSA-N
XLogP5.13
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)benzamide
CID 7603182
methyl 4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate
CID 84554562
N-(2,4-dimethoxyphenyl)-N'-(2-ethylphenyl)oxamide
CID 3220613
N-(2,5-dimethylphenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554469
2-(benzylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109255477
N-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554547
3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoic acid
CID 84554499
N-(2,4-dimethoxyphenyl)-3-hydroxybenzamide
CID 19256865
N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 710450
3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-4-methylbenzoic acid
CID 84554573
3-N-tert-butyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109056037
N-(3-bromophenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554489

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-[(2-ethylanilino)methyl]benzamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-[(2-ethylanilino)methyl]benzamide (CID 84554519) is N-(2,4-dimethoxyphenyl)-3-[(2-ethylanilino)methyl]benzamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-[(2-ethylanilino)methyl]benzamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-[(2-ethylanilino)methyl]benzamide is CCc1ccccc1NCc1cccc(C(=O)Nc2ccc(OC)cc2OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-[(2-ethylanilino)methyl]benzamide?
The InChIKey is IIINKHAJOAOZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-4-18-9-5-6-11-21(18)25-16-17-8-7-10-19(14-17)24(27)26-22-13-12-20(28-2)15-23(22)29-3/h5-15,25H,4,16H2,1-3H3,(H,26,27).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-[(2-ethylanilino)methyl]benzamide?
N-(2,4-dimethoxyphenyl)-3-[(2-ethylanilino)methyl]benzamide has a molecular weight of 390.48 g/mol, XLogP of 5.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-[(2-ethylanilino)methyl]benzamide is sourced from PubChem (CID 84554519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).