4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide

C23H28N4O3 — CID 54844186

IUPAC4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
SMILESCC(=O)Nc1cccc(NC(=O)CNc2ccc(C(=O)NC3CCCCC3)cc2)c1
InChIInChI=1S/C23H28N4O3/c1-16(28)25-20-8-5-9-21(14-20)26-22(29)15-24-18-12-10-17(11-13-18)23(30)27-19-6-3-2-4-7-19/h5,8-14,19,24H,2-4,6-7,15H2,1H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyAEPGHOHOCRBOAJ-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.76
Rot. Bonds7

About 4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide

4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide (PubChem CID 54844186) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
PubChem CID54844186
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
SMILESCC(=O)Nc1cccc(NC(=O)CNc2ccc(C(=O)NC3CCCCC3)cc2)c1
InChIInChI=1S/C23H28N4O3/c1-16(28)25-20-8-5-9-21(14-20)26-22(29)15-24-18-12-10-17(11-13-18)23(30)27-19-6-3-2-4-7-19/h5,8-14,19,24H,2-4,6-7,15H2,1H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyAEPGHOHOCRBOAJ-UHFFFAOYSA-N
XLogP3.76
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810258
3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54844067
N-butyl-3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54843817
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035
3-[[2-(3-benzamidoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54839098
N-cyclohexyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54846165
N-cyclohexyl-3-[[2-[4-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846290
N-cyclohexyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]acetyl]amino]benzamide
CID 54825740
4-acetamido-N-cyclooctylbenzamide
CID 2990044
4-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54816004
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831098
N-cyclohexyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822775

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide?
The IUPAC name of 4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide (CID 54844186) is 4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide.
What is the SMILES notation for 4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide?
The canonical SMILES for 4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide is CC(=O)Nc1cccc(NC(=O)CNc2ccc(C(=O)NC3CCCCC3)cc2)c1.
What is the InChIKey of 4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide?
The InChIKey is AEPGHOHOCRBOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-16(28)25-20-8-5-9-21(14-20)26-22(29)15-24-18-12-10-17(11-13-18)23(30)27-19-6-3-2-4-7-19/h5,8-14,19,24H,2-4,6-7,15H2,1H3,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of 4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide?
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide has a molecular weight of 408.50 g/mol, XLogP of 3.76, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide is sourced from PubChem (CID 54844186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).