methyl 3-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate

C24H22N2O4 — CID 17186778

IUPACmethyl 3-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate
SMILESCCN(C(=O)c1ccccc1NC(=O)c1cccc(C(=O)OC)c1)c1ccccc1
InChIInChI=1S/C24H22N2O4/c1-3-26(19-12-5-4-6-13-19)23(28)20-14-7-8-15-21(20)25-22(27)17-10-9-11-18(16-17)24(29)30-2/h4-16H,3H2,1-2H3,(H,25,27)
InChIKeyCZTNNLWLRIXVLA-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.39
Rot. Bonds6

About methyl 3-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate

methyl 3-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate (PubChem CID 17186778) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is methyl 3-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate
PubChem CID17186778
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Namemethyl 3-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate
SMILESCCN(C(=O)c1ccccc1NC(=O)c1cccc(C(=O)OC)c1)c1ccccc1
InChIInChI=1S/C24H22N2O4/c1-3-26(19-12-5-4-6-13-19)23(28)20-14-7-8-15-21(20)25-22(27)17-10-9-11-18(16-17)24(29)30-2/h4-16H,3H2,1-2H3,(H,25,27)
InChIKeyCZTNNLWLRIXVLA-UHFFFAOYSA-N
XLogP4.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate
CID 17186901
3-N-ethyl-1-N-(2-fluorophenyl)-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057333
butyl 2-[(3-methoxycarbonylbenzoyl)amino]benzoate
CID 108786656
methyl 3-[[2-(propan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17175300
ethyl 3-[2-[ethyl(phenyl)carbamoyl]anilino]-3-oxopropanoate
CID 17186762
2-[[3-(2-ethoxyethoxy)benzoyl]carbamothioylamino]-N-ethyl-N-phenylbenzamide
CID 17186895
methyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17175287
3,5-dichloro-N-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17186892
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
methyl 3-[[2-[(3-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 52636365
methyl 2-[(3-ethoxybenzoyl)amino]benzoate
CID 881681
5-[2-[ethyl(phenyl)carbamoyl]anilino]-5-oxopentanoic acid
CID 17186685

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate?
The IUPAC name of methyl 3-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate (CID 17186778) is methyl 3-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 3-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 3-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate is CCN(C(=O)c1ccccc1NC(=O)c1cccc(C(=O)OC)c1)c1ccccc1.
What is the InChIKey of methyl 3-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate?
The InChIKey is CZTNNLWLRIXVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-3-26(19-12-5-4-6-13-19)23(28)20-14-7-8-15-21(20)25-22(27)17-10-9-11-18(16-17)24(29)30-2/h4-16H,3H2,1-2H3,(H,25,27).
What are the key properties of methyl 3-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate?
methyl 3-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate has a molecular weight of 402.45 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate is sourced from PubChem (CID 17186778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).