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

C24H25N3O3 — CID 9100801

IUPACN-(4-ethoxyphenyl)-4-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NCC(=O)Nc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C24H25N3O3/c1-3-30-22-13-11-20(12-14-22)27-24(29)18-7-9-19(10-8-18)25-16-23(28)26-21-6-4-5-17(2)15-21/h4-15,25H,3,16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyJNIZEQSJWODFIC-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.70
Rot. Bonds8

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

N-(4-ethoxyphenyl)-4-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide (PubChem CID 9100801) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide
PubChem CID9100801
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-(4-ethoxyphenyl)-4-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NCC(=O)Nc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C24H25N3O3/c1-3-30-22-13-11-20(12-14-22)27-24(29)18-7-9-19(10-8-18)25-16-23(28)26-21-6-4-5-17(2)15-21/h4-15,25H,3,16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyJNIZEQSJWODFIC-UHFFFAOYSA-N
XLogP4.70
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide
CID 54811131
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 9100799
N-(4-ethoxyphenyl)-4-[[2-(3-fluoroanilino)acetyl]amino]benzamide
CID 9098933
4-[[2-(4-chloroanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26417233
3-[[2-(4-ethoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54811072
4-[[2-(4-cyanoanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26437531
3-[[2-(4-ethoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 54811015
N-(4-ethoxyphenyl)-N'-(3-methylphenyl)oxamide
CID 44996305
N-(4-ethoxyphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830003
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537872
2-(4-ethoxyanilino)-N-(3-fluorophenyl)acetamide
CID 28569623
N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylanilino)acetamide
CID 54810605

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide (CID 9100801) is N-(4-ethoxyphenyl)-4-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide is CCOc1ccc(NC(=O)c2ccc(NCC(=O)Nc3cccc(C)c3)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is JNIZEQSJWODFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-3-30-22-13-11-20(12-14-22)27-24(29)18-7-9-19(10-8-18)25-16-23(28)26-21-6-4-5-17(2)15-21/h4-15,25H,3,16H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-(4-ethoxyphenyl)-4-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide?
N-(4-ethoxyphenyl)-4-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 403.48 g/mol, XLogP of 4.70, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 9100801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).