3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide

C28H30N4O3 — CID 54831035

IUPAC3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
SMILESO=C(CNc1cccc(C(=O)NC2CCCCC2)c1)Nc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C28H30N4O3/c33-26(30-24-15-8-16-25(18-24)32-27(34)20-9-3-1-4-10-20)19-29-23-14-7-11-21(17-23)28(35)31-22-12-5-2-6-13-22/h1,3-4,7-11,14-18,22,29H,2,5-6,12-13,19H2,(H,30,33)(H,31,35)(H,32,34)
InChIKeySDDRERORCPELLY-UHFFFAOYSA-N
MW470.57 g/mol
LogP5.05
Rot. Bonds8

About 3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide

3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide (PubChem CID 54831035) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
PubChem CID54831035
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC Name3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
SMILESO=C(CNc1cccc(C(=O)NC2CCCCC2)c1)Nc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C28H30N4O3/c33-26(30-24-15-8-16-25(18-24)32-27(34)20-9-3-1-4-10-20)19-29-23-14-7-11-21(17-23)28(35)31-22-12-5-2-6-13-22/h1,3-4,7-11,14-18,22,29H,2,5-6,12-13,19H2,(H,30,33)(H,31,35)(H,32,34)
InChIKeySDDRERORCPELLY-UHFFFAOYSA-N
XLogP5.05
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 55.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3-benzamidoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54839098
5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54833038
3-[[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842054
N-cyclohexyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822775
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54844186
N-cyclohexyl-3-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54822029
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831098
3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54830996
N-cyclohexyl-3-[[2-[4-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846290
N-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54831160
3-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837306
N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810258

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide?
The IUPAC name of 3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide (CID 54831035) is 3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide.
What is the SMILES notation for 3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide?
The canonical SMILES for 3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide is O=C(CNc1cccc(C(=O)NC2CCCCC2)c1)Nc1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of 3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide?
The InChIKey is SDDRERORCPELLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c33-26(30-24-15-8-16-25(18-24)32-27(34)20-9-3-1-4-10-20)19-29-23-14-7-11-21(17-23)28(35)31-22-12-5-2-6-13-22/h1,3-4,7-11,14-18,22,29H,2,5-6,12-13,19H2,(H,30,33)(H,31,35)(H,32,34).
What are the key properties of 3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide?
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide has a molecular weight of 470.57 g/mol, XLogP of 5.05, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide is sourced from PubChem (CID 54831035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).