2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide

C26H29N3O3 — CID 18267087

IUPAC2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCCc1ccc(NC(=O)CNc2ccccc2C(=O)NCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C26H29N3O3/c1-3-19-8-12-21(13-9-19)29-25(30)18-28-24-7-5-4-6-23(24)26(31)27-17-16-20-10-14-22(32-2)15-11-20/h4-15,28H,3,16-18H2,1-2H3,(H,27,31)(H,29,30)
InChIKeyUDJORYALCREEEX-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.28
Rot. Bonds10

About 2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide

2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 18267087) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide
PubChem CID18267087
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCCc1ccc(NC(=O)CNc2ccccc2C(=O)NCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C26H29N3O3/c1-3-19-8-12-21(13-9-19)29-25(30)18-28-24-7-5-4-6-23(24)26(31)27-17-16-20-10-14-22(32-2)15-11-20/h4-15,28H,3,16-18H2,1-2H3,(H,27,31)(H,29,30)
InChIKeyUDJORYALCREEEX-UHFFFAOYSA-N
XLogP4.28
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9105493
N-[2-(4-methoxyphenyl)ethyl]-2-[[2-(2-methyl-3-nitroanilino)-2-oxoethyl]amino]benzamide
CID 4882581
2-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
CID 9103404
N-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 9084498
2-(2-ethylanilino)-N-(4-methoxyphenyl)acetamide
CID 26439643
2-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9105472
2-[[2-(4-ethylanilino)-2-oxoethyl]amino]benzamide
CID 16606561
N-(4-ethylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide
CID 9106090
N-[2-(4-methoxyphenyl)ethyl]-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide
CID 16577157
2-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 2193182
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9105475
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide
CID 9106065

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide (CID 18267087) is 2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide is CCc1ccc(NC(=O)CNc2ccccc2C(=O)NCCc2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is UDJORYALCREEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-3-19-8-12-21(13-9-19)29-25(30)18-28-24-7-5-4-6-23(24)26(31)27-17-16-20-10-14-22(32-2)15-11-20/h4-15,28H,3,16-18H2,1-2H3,(H,27,31)(H,29,30).
What are the key properties of 2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 431.54 g/mol, XLogP of 4.28, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 18267087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).