4-[[2-(4-cyanoanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide

C24H22N4O3 — CID 26437531

IUPAC4-[[2-(4-cyanoanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)CNc3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C24H22N4O3/c1-2-31-22-13-11-21(12-14-22)28-24(30)18-5-9-20(10-6-18)27-23(29)16-26-19-7-3-17(15-25)4-8-19/h3-14,26H,2,16H2,1H3,(H,27,29)(H,28,30)
InChIKeyOYHGUTUZCOPORC-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.26
Rot. Bonds8

About 4-[[2-(4-cyanoanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide

4-[[2-(4-cyanoanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide (PubChem CID 26437531) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 4-[[2-(4-cyanoanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[2-(4-cyanoanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
PubChem CID26437531
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name4-[[2-(4-cyanoanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)CNc3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C24H22N4O3/c1-2-31-22-13-11-21(12-14-22)28-24(30)18-5-9-20(10-6-18)27-23(29)16-26-19-7-3-17(15-25)4-8-19/h3-14,26H,2,16H2,1H3,(H,27,29)(H,28,30)
InChIKeyOYHGUTUZCOPORC-UHFFFAOYSA-N
XLogP4.26
TPSA103.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(4-chloroanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26417233
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 9100799
N-(4-ethoxyphenyl)-4-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide
CID 9100801
1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109057669
3-(4-cyanoanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039917
2-(4-acetamidoanilino)-N-(4-ethoxyphenyl)acetamide
CID 54808313
N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide
CID 54811266
N-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide
CID 54811131
2-(4-ethoxyanilino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54811661
N-(4-ethoxyphenyl)-4-[[2-(3-fluoroanilino)acetyl]amino]benzamide
CID 9098933
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880
4-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840736

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-cyanoanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide?
The IUPAC name of 4-[[2-(4-cyanoanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide (CID 26437531) is 4-[[2-(4-cyanoanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide.
What is the SMILES notation for 4-[[2-(4-cyanoanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide?
The canonical SMILES for 4-[[2-(4-cyanoanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide is CCOc1ccc(NC(=O)c2ccc(NC(=O)CNc3ccc(C#N)cc3)cc2)cc1.
What is the InChIKey of 4-[[2-(4-cyanoanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide?
The InChIKey is OYHGUTUZCOPORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-2-31-22-13-11-21(12-14-22)28-24(30)18-5-9-20(10-6-18)27-23(29)16-26-19-7-3-17(15-25)4-8-19/h3-14,26H,2,16H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 4-[[2-(4-cyanoanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide?
4-[[2-(4-cyanoanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide has a molecular weight of 414.47 g/mol, XLogP of 4.26, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-cyanoanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide is sourced from PubChem (CID 26437531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).