methyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]benzoate

C20H22N2O4 — CID 17175287

IUPACmethyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1
InChIInChI=1S/C20H22N2O4/c1-20(2,3)22-18(24)15-10-5-6-11-16(15)21-17(23)13-8-7-9-14(12-13)19(25)26-4/h5-12H,1-4H3,(H,21,23)(H,22,24)
InChIKeyRVCJTLDZPPUQGZ-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.25
Rot. Bonds4

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

methyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]benzoate (PubChem CID 17175287) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is methyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]benzoate
PubChem CID17175287
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Namemethyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1
InChIInChI=1S/C20H22N2O4/c1-20(2,3)22-18(24)15-10-5-6-11-16(15)21-17(23)13-8-7-9-14(12-13)19(25)26-4/h5-12H,1-4H3,(H,21,23)(H,22,24)
InChIKeyRVCJTLDZPPUQGZ-UHFFFAOYSA-N
XLogP3.25
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-(propan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17175300
N-tert-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 8779150
3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide
CID 17226566
methyl 3-[[2-[(3-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 52636365
N-tert-butyl-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17140330
methyl 4-[[2-(tert-butylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate
CID 17178571
methyl 2-[(3-iodobenzoyl)amino]benzoate
CID 1019242
butyl 2-[(3-methoxycarbonylbenzoyl)amino]benzoate
CID 108786656
methyl 4-[[2-[(3-methylbenzoyl)amino]benzoyl]amino]benzoate
CID 112762906
methyl 3-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 17186778
methyl 2-(tert-butylcarbamoyl)benzoate
CID 108785469
N-[2-(tert-butylcarbamoyl)phenyl]-3-methyl-4-nitrobenzamide
CID 17256604

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]benzoate?
The IUPAC name of methyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]benzoate (CID 17175287) is methyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]benzoate is COC(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1.
What is the InChIKey of methyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]benzoate?
The InChIKey is RVCJTLDZPPUQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-20(2,3)22-18(24)15-10-5-6-11-16(15)21-17(23)13-8-7-9-14(12-13)19(25)26-4/h5-12H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of methyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]benzoate?
methyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]benzoate has a molecular weight of 354.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]benzoate is sourced from PubChem (CID 17175287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).