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

C21H22N2O5 — CID 109143528

IUPACmethyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
SMILESCCOc1ccc(NC(=O)C2CC2C(=O)Nc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C21H22N2O5/c1-3-28-16-10-8-15(9-11-16)23-20(25)18-12-17(18)19(24)22-14-6-4-13(5-7-14)21(26)27-2/h4-11,17-18H,3,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyZNDFUNKCUMMYHI-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.09
Rot. Bonds7

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

methyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate (PubChem CID 109143528) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is methyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
PubChem CID109143528
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Namemethyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
SMILESCCOc1ccc(NC(=O)C2CC2C(=O)Nc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C21H22N2O5/c1-3-28-16-10-8-15(9-11-16)23-20(25)18-12-17(18)19(24)22-14-6-4-13(5-7-14)21(26)27-2/h4-11,17-18H,3,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyZNDFUNKCUMMYHI-UHFFFAOYSA-N
XLogP3.09
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-N-(4-chlorophenyl)-2-N-(4-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142941
methyl 2-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143526
methyl 4-[[2-[(4-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142627
1-N-butan-2-yl-2-N-(4-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109131727
1-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133203
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315
2-N-(4-ethoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142430
ethyl 4-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143804
1-N-(2,3-dichlorophenyl)-2-N-(4-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143544
methyl 2-[[2-[(4-methoxycarbonylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143863
(1R,2R,4S)-N-(4-ethoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 839866
(1S,2S,4S)-N-(4-ethoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7101788

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate (CID 109143528) is methyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate is CCOc1ccc(NC(=O)C2CC2C(=O)Nc2ccc(C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The InChIKey is ZNDFUNKCUMMYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-3-28-16-10-8-15(9-11-16)23-20(25)18-12-17(18)19(24)22-14-6-4-13(5-7-14)21(26)27-2/h4-11,17-18H,3,12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of methyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
methyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate has a molecular weight of 382.42 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 109143528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).