methyl 3-[[2-(propan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate

C19H20N2O4 — CID 17175300

IUPACmethyl 3-[[2-(propan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NC(C)C)c1
InChIInChI=1S/C19H20N2O4/c1-12(2)20-18(23)15-9-4-5-10-16(15)21-17(22)13-7-6-8-14(11-13)19(24)25-3/h4-12H,1-3H3,(H,20,23)(H,21,22)
InChIKeyCMVIRKNONJBTGU-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.86
Rot. Bonds5

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

methyl 3-[[2-(propan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate (PubChem CID 17175300) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl 3-[[2-(propan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(propan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
PubChem CID17175300
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Namemethyl 3-[[2-(propan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NC(C)C)c1
InChIInChI=1S/C19H20N2O4/c1-12(2)20-18(23)15-9-4-5-10-16(15)21-17(22)13-7-6-8-14(11-13)19(24)25-3/h4-12H,1-3H3,(H,20,23)(H,21,22)
InChIKeyCMVIRKNONJBTGU-UHFFFAOYSA-N
XLogP2.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-iodobenzoyl)amino]-N-propan-2-ylbenzamide
CID 34567999
methyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17175287
methyl 3-[[2-[(3-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 52636365
2-[(3-nitrobenzoyl)amino]-N-propan-2-ylbenzamide
CID 4945339
2-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 4955048
methyl 2-[(3-iodobenzoyl)amino]benzoate
CID 1019242
butyl 2-[(3-methoxycarbonylbenzoyl)amino]benzoate
CID 108786656
N-propan-2-yl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
CID 60560652
methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate
CID 28638001
N-butan-2-yl-2-[(3-methoxybenzoyl)amino]benzamide
CID 17417921
methyl 4-[[2-[(3-methylbenzoyl)amino]benzoyl]amino]benzoate
CID 112762906
methyl 3-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 17186778

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(propan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate?
The IUPAC name of methyl 3-[[2-(propan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate (CID 17175300) is methyl 3-[[2-(propan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 3-[[2-(propan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 3-[[2-(propan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate is COC(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NC(C)C)c1.
What is the InChIKey of methyl 3-[[2-(propan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate?
The InChIKey is CMVIRKNONJBTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12(2)20-18(23)15-9-4-5-10-16(15)21-17(22)13-7-6-8-14(11-13)19(24)25-3/h4-12H,1-3H3,(H,20,23)(H,21,22).
What are the key properties of methyl 3-[[2-(propan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate?
methyl 3-[[2-(propan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate has a molecular weight of 340.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(propan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate is sourced from PubChem (CID 17175300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).