4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide

C25H27N3O3 — CID 9100799

IUPAC4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C25H27N3O3/c1-4-31-23-13-11-21(12-14-23)28-25(30)19-6-9-20(10-7-19)26-16-24(29)27-22-8-5-17(2)18(3)15-22/h5-15,26H,4,16H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyAMTRAGLAQTXWIS-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.01
Rot. Bonds8

About 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide

4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide (PubChem CID 9100799) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide
PubChem CID9100799
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C25H27N3O3/c1-4-31-23-13-11-21(12-14-23)28-25(30)19-6-9-20(10-7-19)26-16-24(29)27-22-8-5-17(2)18(3)15-22/h5-15,26H,4,16H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyAMTRAGLAQTXWIS-UHFFFAOYSA-N
XLogP5.01
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-4-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide
CID 9100801
4-[[2-(4-chloroanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26417233
N-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide
CID 54811131
4-[[2-(4-cyanoanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26437531
N-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109035452
N-(4-ethoxyphenyl)-4-[[2-(3-fluoroanilino)acetyl]amino]benzamide
CID 9098933
2-(4-acetamidoanilino)-N-(4-ethoxyphenyl)acetamide
CID 54808313
N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide
CID 54811266
N-(3,4-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821243
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzamide
CID 2969739
2-(4-ethoxyanilino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54811661
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide?
The IUPAC name of 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide (CID 9100799) is 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide.
What is the SMILES notation for 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide?
The canonical SMILES for 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide is CCOc1ccc(NC(=O)c2ccc(NCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1.
What is the InChIKey of 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide?
The InChIKey is AMTRAGLAQTXWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-4-31-23-13-11-21(12-14-23)28-25(30)19-6-9-20(10-7-19)26-16-24(29)27-22-8-5-17(2)18(3)15-22/h5-15,26H,4,16H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide?
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide has a molecular weight of 417.51 g/mol, XLogP of 5.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide is sourced from PubChem (CID 9100799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).