methyl 2-[[2-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate

C22H24N2O4 — CID 109142444

IUPACmethyl 2-[[2-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CC1C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C22H24N2O4/c1-12-9-13(2)19(14(3)10-12)24-21(26)17-11-16(17)20(25)23-18-8-6-5-7-15(18)22(27)28-4/h5-10,16-17H,11H2,1-4H3,(H,23,25)(H,24,26)
InChIKeySKZFRWQWULXDMT-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.61
Rot. Bonds5

About methyl 2-[[2-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate

methyl 2-[[2-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate (PubChem CID 109142444) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is methyl 2-[[2-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
PubChem CID109142444
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Namemethyl 2-[[2-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CC1C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C22H24N2O4/c1-12-9-13(2)19(14(3)10-12)24-21(26)17-11-16(17)20(25)23-18-8-6-5-7-15(18)22(27)28-4/h5-10,16-17H,11H2,1-4H3,(H,23,25)(H,24,26)
InChIKeySKZFRWQWULXDMT-UHFFFAOYSA-N
XLogP3.61
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate with MolForge

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Related Compounds

2-N-(2-tert-butylphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142412
methyl 2-[[2-[(4-methoxycarbonylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143863
methyl 2-[[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetyl]amino]benzoate
CID 9339387
methyl 2-[[2-[(4-chlorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142955
methyl 2-[[2-[(3-chlorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142893
methyl 2-[[2-[(4-propan-2-ylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142383
methyl 2-[[2-(prop-2-enylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109131158
methyl 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoate
CID 108785438
2-N-(5-chloro-2-methoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142425
methyl 2-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143526
ethyl 2-[[2-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109144216
ethyl 2-[[2-[(2,3-dimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109141974

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate (CID 109142444) is methyl 2-[[2-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)C1CC1C(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of methyl 2-[[2-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The InChIKey is SKZFRWQWULXDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-12-9-13(2)19(14(3)10-12)24-21(26)17-11-16(17)20(25)23-18-8-6-5-7-15(18)22(27)28-4/h5-10,16-17H,11H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of methyl 2-[[2-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
methyl 2-[[2-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate has a molecular weight of 380.44 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 109142444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).