3-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide

C29H32N4O3 — CID 54837306

IUPAC3-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c1)c1ccccc1
InChIInChI=1S/C29H32N4O3/c1-33(26-13-6-3-7-14-26)29(36)22-9-8-12-25(19-22)30-20-27(34)31-24-17-15-21(16-18-24)28(35)32-23-10-4-2-5-11-23/h3,6-9,12-19,23,30H,2,4-5,10-11,20H2,1H3,(H,31,34)(H,32,35)
InChIKeySYYJRAZOCMERAC-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.08
Rot. Bonds8

About 3-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide

3-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide (PubChem CID 54837306) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is 3-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
PubChem CID54837306
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Name3-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c1)c1ccccc1
InChIInChI=1S/C29H32N4O3/c1-33(26-13-6-3-7-14-26)29(36)22-9-8-12-25(19-22)30-20-27(34)31-24-17-15-21(16-18-24)28(35)32-23-10-4-2-5-11-23/h3,6-9,12-19,23,30H,2,4-5,10-11,20H2,1H3,(H,31,34)(H,32,35)
InChIKeySYYJRAZOCMERAC-UHFFFAOYSA-N
XLogP5.08
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810258
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035
3-[[2-(3-benzamidoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54839098
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831098
3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837360
N-cyclohexyl-4-[[2-[3-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54825662
4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]-N-cyclohexylbenzamide
CID 54841677
3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837458
N-methyl-N-phenyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843314
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54844186
2-chloro-N-cyclohexyl-5-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832945
3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837465

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The IUPAC name of 3-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide (CID 54837306) is 3-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide is CN(C(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c1)c1ccccc1.
What is the InChIKey of 3-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The InChIKey is SYYJRAZOCMERAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-33(26-13-6-3-7-14-26)29(36)22-9-8-12-25(19-22)30-20-27(34)31-24-17-15-21(16-18-24)28(35)32-23-10-4-2-5-11-23/h3,6-9,12-19,23,30H,2,4-5,10-11,20H2,1H3,(H,31,34)(H,32,35).
What are the key properties of 3-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
3-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide has a molecular weight of 484.60 g/mol, XLogP of 5.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 54837306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).