methyl 4-[[2-(2-phenylethylcarbamoyl)phenyl]carbamoyl]benzoate

C24H22N2O4 — CID 17178238

IUPACmethyl 4-[[2-(2-phenylethylcarbamoyl)phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C24H22N2O4/c1-30-24(29)19-13-11-18(12-14-19)22(27)26-21-10-6-5-9-20(21)23(28)25-16-15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,25,28)(H,26,27)
InChIKeyLBQNYSFVDCDOIS-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.70
Rot. Bonds7

About methyl 4-[[2-(2-phenylethylcarbamoyl)phenyl]carbamoyl]benzoate

methyl 4-[[2-(2-phenylethylcarbamoyl)phenyl]carbamoyl]benzoate (PubChem CID 17178238) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is methyl 4-[[2-(2-phenylethylcarbamoyl)phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(2-phenylethylcarbamoyl)phenyl]carbamoyl]benzoate
PubChem CID17178238
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Namemethyl 4-[[2-(2-phenylethylcarbamoyl)phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C24H22N2O4/c1-30-24(29)19-13-11-18(12-14-19)22(27)26-21-10-6-5-9-20(21)23(28)25-16-15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,25,28)(H,26,27)
InChIKeyLBQNYSFVDCDOIS-UHFFFAOYSA-N
XLogP3.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 2193182
3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 46410067
6-methoxy-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 33253802
methyl 2-(2-phenylethylcarbamoyl)benzoate
CID 23935800
[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl] 4-methylbenzoate
CID 9018254
methyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178306
3-bromo-4-(2-methoxyethoxy)-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 17356398
methyl 2-(2-phenylethylcarbamoylamino)benzoate
CID 3813760
N-[2-(2-phenylethylcarbamoyl)phenyl]furan-3-carboxamide
CID 18102051
[2-(2-phenylethylcarbamoyl)phenyl]carbamothioic S-acid
CID 155166285
methyl 4-(3-phenylpropylcarbamoyl)benzoate
CID 27646995
2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 33252278

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2-phenylethylcarbamoyl)phenyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[2-(2-phenylethylcarbamoyl)phenyl]carbamoyl]benzoate (CID 17178238) is methyl 4-[[2-(2-phenylethylcarbamoyl)phenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[2-(2-phenylethylcarbamoyl)phenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[2-(2-phenylethylcarbamoyl)phenyl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of methyl 4-[[2-(2-phenylethylcarbamoyl)phenyl]carbamoyl]benzoate?
The InChIKey is LBQNYSFVDCDOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-30-24(29)19-13-11-18(12-14-19)22(27)26-21-10-6-5-9-20(21)23(28)25-16-15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,25,28)(H,26,27).
What are the key properties of methyl 4-[[2-(2-phenylethylcarbamoyl)phenyl]carbamoyl]benzoate?
methyl 4-[[2-(2-phenylethylcarbamoyl)phenyl]carbamoyl]benzoate has a molecular weight of 402.45 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2-phenylethylcarbamoyl)phenyl]carbamoyl]benzoate is sourced from PubChem (CID 17178238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).