methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate

C23H20N2O4 — CID 28638986

IUPACmethyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C23H20N2O4/c1-29-23(28)18-12-10-17(11-13-18)22(27)25-20-9-5-8-19(14-20)21(26)24-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyCPYHCVGRRZROGE-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.66
Rot. Bonds6

About methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate

methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate (PubChem CID 28638986) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
PubChem CID28638986
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Namemethyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C23H20N2O4/c1-29-23(28)18-12-10-17(11-13-18)22(27)25-20-9-5-8-19(14-20)21(26)24-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyCPYHCVGRRZROGE-UHFFFAOYSA-N
XLogP3.66
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[4-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28640040
methyl 4-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54817135
N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 28638755
methyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17230817
1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046735
4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide
CID 109046750
3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid
CID 45425987
N-benzyl-3-[(4-nitrobenzoyl)amino]benzamide
CID 28638777
methyl 4-[(3-ethylphenyl)carbamoyl]benzoate
CID 7935129
N-benzyl-3-[(4-hexoxybenzoyl)amino]benzamide
CID 28638882
N-benzyl-3-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide
CID 28638954
methyl 3-[[3-(benzylamino)-3-oxopropanoyl]amino]benzoate
CID 108945310

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate (CID 28638986) is methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1.
What is the InChIKey of methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate?
The InChIKey is CPYHCVGRRZROGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-29-23(28)18-12-10-17(11-13-18)22(27)25-20-9-5-8-19(14-20)21(26)24-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate?
methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate has a molecular weight of 388.42 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate is sourced from PubChem (CID 28638986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).