ethyl 2-[[1-[ethyl-(2-oxo-2-phenylmethoxyethyl)amino]cyclopropanecarbonyl]amino]-3-methylbenzoate

C25H30N2O5 — CID 155115267

IUPACethyl 2-[[1-[ethyl-(2-oxo-2-phenylmethoxyethyl)amino]cyclopropanecarbonyl]amino]-3-methylbenzoate
SMILESCCOC(=O)c1cccc(C)c1NC(=O)C1(N(CC)CC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C25H30N2O5/c1-4-27(16-21(28)32-17-19-11-7-6-8-12-19)25(14-15-25)24(30)26-22-18(3)10-9-13-20(22)23(29)31-5-2/h6-13H,4-5,14-17H2,1-3H3,(H,26,30)
InChIKeyIIORKUCXRXQWRQ-UHFFFAOYSA-N
MW438.52 g/mol
LogP3.71
Rot. Bonds10

About ethyl 2-[[1-[ethyl-(2-oxo-2-phenylmethoxyethyl)amino]cyclopropanecarbonyl]amino]-3-methylbenzoate

ethyl 2-[[1-[ethyl-(2-oxo-2-phenylmethoxyethyl)amino]cyclopropanecarbonyl]amino]-3-methylbenzoate (PubChem CID 155115267) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is ethyl 2-[[1-[ethyl-(2-oxo-2-phenylmethoxyethyl)amino]cyclopropanecarbonyl]amino]-3-methylbenzoate.

Molecular Properties

Compound Nameethyl 2-[[1-[ethyl-(2-oxo-2-phenylmethoxyethyl)amino]cyclopropanecarbonyl]amino]-3-methylbenzoate
PubChem CID155115267
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Nameethyl 2-[[1-[ethyl-(2-oxo-2-phenylmethoxyethyl)amino]cyclopropanecarbonyl]amino]-3-methylbenzoate
SMILESCCOC(=O)c1cccc(C)c1NC(=O)C1(N(CC)CC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C25H30N2O5/c1-4-27(16-21(28)32-17-19-11-7-6-8-12-19)25(14-15-25)24(30)26-22-18(3)10-9-13-20(22)23(29)31-5-2/h6-13H,4-5,14-17H2,1-3H3,(H,26,30)
InChIKeyIIORKUCXRXQWRQ-UHFFFAOYSA-N
XLogP3.71
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[1-[ethyl-(2-oxo-2-phenylmethoxyethyl)amino]cyclopropanecarbonyl]amino]-3-methylbenzoate with MolForge

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Related Compounds

[1-[(2-ethoxycarbonyl-6-methylphenyl)carbamoyl]cyclobutyl]-diethyl-(2-oxo-2-phenylmethoxyethyl)azanium
CID 170269858
[1-[(2-ethoxycarbonyl-4-fluoro-6-methylphenyl)carbamoyl]cyclopropyl]-diethyl-(2-oxo-2-phenylmethoxyethyl)azanium
CID 170269875
ethyl 3,5-dimethyl-2-[[1-[1-(2-oxo-2-phenylmethoxyethyl)pyrrolidin-1-ium-1-yl]cyclopropanecarbonyl]amino]benzoate
CID 170269795
benzyl 4-[(2-chloro-6-methylphenyl)carbamoyl]-4-(dimethylamino)piperidine-1-carboxylate
CID 70380131
ethyl 3,5-dimethyl-2-[[1-[1-(2-oxo-2-phenylmethoxyethyl)azepan-1-ium-1-yl]cyclobutanecarbonyl]amino]benzoate
CID 170269752
ethyl 2-[2-[ethyl-(2-oxo-2-phenylmethoxyethyl)amino]pentanoylamino]-3,5-dimethylbenzoate
CID 155115266
ethyl 5-fluoro-3-methyl-2-[[1-[1-(2-oxo-2-phenylmethoxyethyl)azepan-1-ium-1-yl]cyclopropanecarbonyl]amino]benzoate
CID 170269760
ethyl 4-[(2-amino-6-ethoxycarbonylphenyl)carbamoyl]-2,5-bis(phenylmethoxy)benzoate
CID 156852371
benzyl 2-(2-ethoxycarbonylphenyl)-6-methylbenzoate
CID 170993079
methyl 3-methyl-2-[2-[1-(2-oxo-2-phenylmethoxyethyl)pyrrolidin-1-ium-1-yl]butanoylamino]benzoate
CID 170269593
ethyl 4-[acetyl(benzyl)amino]-4-[(2,6-dimethylphenyl)carbamoyl]piperidine-1-carboxylate
CID 70380170
ethyl 3-amino-2-(2-methylanilino)benzoate
CID 115934055

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-[ethyl-(2-oxo-2-phenylmethoxyethyl)amino]cyclopropanecarbonyl]amino]-3-methylbenzoate?
The IUPAC name of ethyl 2-[[1-[ethyl-(2-oxo-2-phenylmethoxyethyl)amino]cyclopropanecarbonyl]amino]-3-methylbenzoate (CID 155115267) is ethyl 2-[[1-[ethyl-(2-oxo-2-phenylmethoxyethyl)amino]cyclopropanecarbonyl]amino]-3-methylbenzoate.
What is the SMILES notation for ethyl 2-[[1-[ethyl-(2-oxo-2-phenylmethoxyethyl)amino]cyclopropanecarbonyl]amino]-3-methylbenzoate?
The canonical SMILES for ethyl 2-[[1-[ethyl-(2-oxo-2-phenylmethoxyethyl)amino]cyclopropanecarbonyl]amino]-3-methylbenzoate is CCOC(=O)c1cccc(C)c1NC(=O)C1(N(CC)CC(=O)OCc2ccccc2)CC1.
What is the InChIKey of ethyl 2-[[1-[ethyl-(2-oxo-2-phenylmethoxyethyl)amino]cyclopropanecarbonyl]amino]-3-methylbenzoate?
The InChIKey is IIORKUCXRXQWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-4-27(16-21(28)32-17-19-11-7-6-8-12-19)25(14-15-25)24(30)26-22-18(3)10-9-13-20(22)23(29)31-5-2/h6-13H,4-5,14-17H2,1-3H3,(H,26,30).
What are the key properties of ethyl 2-[[1-[ethyl-(2-oxo-2-phenylmethoxyethyl)amino]cyclopropanecarbonyl]amino]-3-methylbenzoate?
ethyl 2-[[1-[ethyl-(2-oxo-2-phenylmethoxyethyl)amino]cyclopropanecarbonyl]amino]-3-methylbenzoate has a molecular weight of 438.52 g/mol, XLogP of 3.71, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-[ethyl-(2-oxo-2-phenylmethoxyethyl)amino]cyclopropanecarbonyl]amino]-3-methylbenzoate is sourced from PubChem (CID 155115267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).