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

C23H20N2O4 — CID 17227914

IUPACmethyl 4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)cc1
InChIInChI=1S/C23H20N2O4/c1-25(20-9-4-3-5-10-20)22(27)18-7-6-8-19(15-18)24-21(26)16-11-13-17(14-12-16)23(28)29-2/h3-15H,1-2H3,(H,24,26)
InChIKeyZRLLCHCRPMAOKV-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.00
Rot. Bonds5

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

methyl 4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate (PubChem CID 17227914) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is methyl 4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate
PubChem CID17227914
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Namemethyl 4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)cc1
InChIInChI=1S/C23H20N2O4/c1-25(20-9-4-3-5-10-20)22(27)18-7-6-8-19(15-18)24-21(26)16-11-13-17(14-12-16)23(28)29-2/h3-15H,1-2H3,(H,24,26)
InChIKeyZRLLCHCRPMAOKV-UHFFFAOYSA-N
XLogP4.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methoxybenzoyl)amino]-N-methyl-N-phenylbenzamide
CID 17227750
3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 109056757
3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid
CID 45425987
methyl 3-[[2-[methyl(phenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate
CID 109091517
methyl 4-[[6-[methyl(phenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109100281
methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28638986
methyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17230817
tert-butyl N-[3-[methyl(phenyl)carbamoyl]phenyl]carbamate
CID 46612138
methyl 3-[[2-(N-methylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109266014
methyl 3-[[4-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
CID 109045824
N-[4-[methyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 17230224
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate (CID 17227914) is methyl 4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)cc1.
What is the InChIKey of methyl 4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate?
The InChIKey is ZRLLCHCRPMAOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-25(20-9-4-3-5-10-20)22(27)18-7-6-8-19(15-18)24-21(26)16-11-13-17(14-12-16)23(28)29-2/h3-15H,1-2H3,(H,24,26).
What are the key properties of methyl 4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate?
methyl 4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate has a molecular weight of 388.42 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate is sourced from PubChem (CID 17227914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).