ethyl 2-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate

C22H22N2O5 — CID 109143813

IUPACethyl 2-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1CC1C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C22H22N2O5/c1-3-29-22(28)16-6-4-5-7-19(16)24-21(27)18-12-17(18)20(26)23-15-10-8-14(9-11-15)13(2)25/h4-11,17-18H,3,12H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyARAKVLZBJWBMFK-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.28
Rot. Bonds7

About ethyl 2-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate

ethyl 2-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate (PubChem CID 109143813) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is ethyl 2-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
PubChem CID109143813
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Nameethyl 2-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1CC1C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C22H22N2O5/c1-3-29-22(28)16-6-4-5-7-19(16)24-21(27)18-12-17(18)20(26)23-15-10-8-14(9-11-15)13(2)25/h4-11,17-18H,3,12H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyARAKVLZBJWBMFK-UHFFFAOYSA-N
XLogP3.28
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate with MolForge

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Related Compounds

ethyl 4-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143804
methyl 2-[[2-[(4-methoxycarbonylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143863
ethyl 2-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109130606
ethyl 2-[[2-[(2,3-dimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109141974
ethyl 2-[[2-(4-acetylanilino)-2-oxoethyl]amino]benzoate
CID 109009916
methyl 2-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143526
ethyl 2-[[2-(butan-2-ylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109131782
ethyl 2-[[2-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109144216
ethyl 2-[[2-(azepane-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109140775
methyl 2-[[2-[(4-chlorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142955
ethyl 2-[[(1R,2S,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]benzoate
CID 6952567
1-N-(4-acetamidophenyl)-2-N-(4-acetylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143793

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate (CID 109143813) is ethyl 2-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)C1CC1C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of ethyl 2-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The InChIKey is ARAKVLZBJWBMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-3-29-22(28)16-6-4-5-7-19(16)24-21(27)18-12-17(18)20(26)23-15-10-8-14(9-11-15)13(2)25/h4-11,17-18H,3,12H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of ethyl 2-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
ethyl 2-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate has a molecular weight of 394.43 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 109143813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).