N-cyclohexyl-3-[[2-[4-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide

C30H34N4O3 — CID 54846290

IUPACN-cyclohexyl-3-[[2-[4-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
SMILESCC(NC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)cc1)c1ccccc1
InChIInChI=1S/C30H34N4O3/c1-21(22-9-4-2-5-10-22)32-29(36)23-15-17-25(18-16-23)31-20-28(35)33-27-14-8-11-24(19-27)30(37)34-26-12-6-3-7-13-26/h2,4-5,8-11,14-19,21,26,31H,3,6-7,12-13,20H2,1H3,(H,32,36)(H,33,35)(H,34,37)
InChIKeyYRLWQMWEIFDALF-UHFFFAOYSA-N
MW498.63 g/mol
LogP5.29
Rot. Bonds9

About N-cyclohexyl-3-[[2-[4-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide

N-cyclohexyl-3-[[2-[4-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide (PubChem CID 54846290) has the molecular formula C30H34N4O3 and a molecular weight of 498.63 g/mol. Its IUPAC name is N-cyclohexyl-3-[[2-[4-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[2-[4-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
PubChem CID54846290
Molecular FormulaC30H34N4O3
Molecular Weight498.63 g/mol
Exact Mass498.26
IUPAC NameN-cyclohexyl-3-[[2-[4-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
SMILESCC(NC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)cc1)c1ccccc1
InChIInChI=1S/C30H34N4O3/c1-21(22-9-4-2-5-10-22)32-29(36)23-15-17-25(18-16-23)31-20-28(35)33-27-14-8-11-24(19-27)30(37)34-26-12-6-3-7-13-26/h2,4-5,8-11,14-19,21,26,31H,3,6-7,12-13,20H2,1H3,(H,32,36)(H,33,35)(H,34,37)
InChIKeyYRLWQMWEIFDALF-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

Analyze N-cyclohexyl-3-[[2-[4-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide with MolForge

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Related Compounds

3-[[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842054
3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54846365
N-(1-phenylethyl)-3-[[2-[4-(propylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54836161
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035
3-[[2-(3-benzamidoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54839098
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54844186
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
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846371
N-cyclohexyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822775
3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54834304
3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842211

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[2-[4-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-3-[[2-[4-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide (CID 54846290) is N-cyclohexyl-3-[[2-[4-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-3-[[2-[4-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-3-[[2-[4-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide is CC(NC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)cc1)c1ccccc1.
What is the InChIKey of N-cyclohexyl-3-[[2-[4-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide?
The InChIKey is YRLWQMWEIFDALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O3/c1-21(22-9-4-2-5-10-22)32-29(36)23-15-17-25(18-16-23)31-20-28(35)33-27-14-8-11-24(19-27)30(37)34-26-12-6-3-7-13-26/h2,4-5,8-11,14-19,21,26,31H,3,6-7,12-13,20H2,1H3,(H,32,36)(H,33,35)(H,34,37).
What are the key properties of N-cyclohexyl-3-[[2-[4-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide?
N-cyclohexyl-3-[[2-[4-(1-phenylethylcarbamoyl)anilino]acetyl]amino]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 N-cyclohexyl-3-[[2-[4-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54846290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).