3-[[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide

C30H34N4O3 — CID 54842054

IUPAC3-[[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)c1)c1ccccc1
InChIInChI=1S/C30H34N4O3/c1-21(22-10-4-2-5-11-22)32-29(36)23-12-8-16-26(18-23)31-20-28(35)33-27-17-9-13-24(19-27)30(37)34-25-14-6-3-7-15-25/h2,4-5,8-13,16-19,21,25,31H,3,6-7,14-15,20H2,1H3,(H,32,36)(H,33,35)(H,34,37)
InChIKeyRIFMMNMAIZVTMJ-UHFFFAOYSA-N
MW498.63 g/mol
LogP5.29
Rot. Bonds9

About 3-[[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide

3-[[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 54842054) has the molecular formula C30H34N4O3 and a molecular weight of 498.63 g/mol. Its IUPAC name is 3-[[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID54842054
Molecular FormulaC30H34N4O3
Molecular Weight498.63 g/mol
Exact Mass498.26
IUPAC Name3-[[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)c1)c1ccccc1
InChIInChI=1S/C30H34N4O3/c1-21(22-10-4-2-5-11-22)32-29(36)23-12-8-16-26(18-23)31-20-28(35)33-27-17-9-13-24(19-27)30(37)34-25-14-6-3-7-15-25/h2,4-5,8-13,16-19,21,25,31H,3,6-7,14-15,20H2,1H3,(H,32,36)(H,33,35)(H,34,37)
InChIKeyRIFMMNMAIZVTMJ-UHFFFAOYSA-N
XLogP5.29
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 55.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-[[2-[4-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846290
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035
3-[[2-(3-benzamidoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54839098
3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842211
N-(1-phenylethyl)-3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843624
N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837990
3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842128
3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54833812
3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54846365
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
3-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842146

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-[[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide (CID 54842054) is 3-[[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-[[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-[[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)c1)c1ccccc1.
What is the InChIKey of 3-[[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is RIFMMNMAIZVTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O3/c1-21(22-10-4-2-5-11-22)32-29(36)23-12-8-16-26(18-23)31-20-28(35)33-27-17-9-13-24(19-27)30(37)34-25-14-6-3-7-15-25/h2,4-5,8-13,16-19,21,25,31H,3,6-7,14-15,20H2,1H3,(H,32,36)(H,33,35)(H,34,37).
What are the key properties of 3-[[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
3-[[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 498.63 g/mol, XLogP of 5.29, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 54842054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).