methyl 2-[[2-[(4-methoxycarbonylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate

C21H20N2O6 — CID 109143863

IUPACmethyl 2-[[2-[(4-methoxycarbonylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CC2C(=O)Nc2ccccc2C(=O)OC)cc1
InChIInChI=1S/C21H20N2O6/c1-28-20(26)12-7-9-13(10-8-12)22-18(24)15-11-16(15)19(25)23-17-6-4-3-5-14(17)21(27)29-2/h3-10,15-16H,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyZDDCGWGQVSBIFF-UHFFFAOYSA-N
MW396.40 g/mol
LogP2.47
Rot. Bonds6

About methyl 2-[[2-[(4-methoxycarbonylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate

methyl 2-[[2-[(4-methoxycarbonylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate (PubChem CID 109143863) has the molecular formula C21H20N2O6 and a molecular weight of 396.40 g/mol. Its IUPAC name is methyl 2-[[2-[(4-methoxycarbonylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[(4-methoxycarbonylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
PubChem CID109143863
Molecular FormulaC21H20N2O6
Molecular Weight396.40 g/mol
Exact Mass396.13
IUPAC Namemethyl 2-[[2-[(4-methoxycarbonylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CC2C(=O)Nc2ccccc2C(=O)OC)cc1
InChIInChI=1S/C21H20N2O6/c1-28-20(26)12-7-9-13(10-8-12)22-18(24)15-11-16(15)19(25)23-17-6-4-3-5-14(17)21(27)29-2/h3-10,15-16H,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyZDDCGWGQVSBIFF-UHFFFAOYSA-N
XLogP2.47
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-[(4-methoxycarbonylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-[[2-[(4-chlorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142955
methyl 2-[[2-[(4-propan-2-ylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142383
methyl 2-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143526
methyl 4-[[2-[(2-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142583
ethyl 2-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143813
methyl 2-[[2-[(3-chlorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142893
methyl 2-[[2-(prop-2-enylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109131158
methyl 4-[[2-[(4-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142627
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315
methyl 2-[[2-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142444
methyl 4-[[2-[(2,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143902
methyl 2-[[3-(4-methoxycarbonylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108969825

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(4-methoxycarbonylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[(4-methoxycarbonylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate (CID 109143863) is methyl 2-[[2-[(4-methoxycarbonylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[(4-methoxycarbonylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[(4-methoxycarbonylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C2CC2C(=O)Nc2ccccc2C(=O)OC)cc1.
What is the InChIKey of methyl 2-[[2-[(4-methoxycarbonylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The InChIKey is ZDDCGWGQVSBIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O6/c1-28-20(26)12-7-9-13(10-8-12)22-18(24)15-11-16(15)19(25)23-17-6-4-3-5-14(17)21(27)29-2/h3-10,15-16H,11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of methyl 2-[[2-[(4-methoxycarbonylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
methyl 2-[[2-[(4-methoxycarbonylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate has a molecular weight of 396.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(4-methoxycarbonylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 109143863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).