ethyl 4-[[2-(cyclopentylcarbamoyl)cyclopropanecarbonyl]amino]benzoate

C19H24N2O4 — CID 109132150

IUPACethyl 4-[[2-(cyclopentylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CC2C(=O)NC2CCCC2)cc1
InChIInChI=1S/C19H24N2O4/c1-2-25-19(24)12-7-9-14(10-8-12)21-18(23)16-11-15(16)17(22)20-13-5-3-4-6-13/h7-10,13,15-16H,2-6,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyLZGLPQIRPZGZEX-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.50
Rot. Bonds6

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

ethyl 4-[[2-(cyclopentylcarbamoyl)cyclopropanecarbonyl]amino]benzoate (PubChem CID 109132150) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is ethyl 4-[[2-(cyclopentylcarbamoyl)cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(cyclopentylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
PubChem CID109132150
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Nameethyl 4-[[2-(cyclopentylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CC2C(=O)NC2CCCC2)cc1
InChIInChI=1S/C19H24N2O4/c1-2-25-19(24)12-7-9-14(10-8-12)21-18(23)16-11-15(16)17(22)20-13-5-3-4-6-13/h7-10,13,15-16H,2-6,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyLZGLPQIRPZGZEX-UHFFFAOYSA-N
XLogP2.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143804
ethyl 4-(cyclododecylcarbamothioylamino)benzoate
CID 19652499
cis-(1R,2S)-2-[(4-ethoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6939063
ethyl 4-[[2-(prop-2-enylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109131183
ethyl 4-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]benzoate
CID 7302295
1-N-(4-chlorophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132096
1-N-(4-acetylphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
CID 109130958
ethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate
CID 112989355
methyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143528
ethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate
CID 112989391
ethyl 4-[[2-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109133425
ethyl 2-(cyclohexylcarbamoyl)cyclopropane-1-carboxylate
CID 102105181

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(cyclopentylcarbamoyl)cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(cyclopentylcarbamoyl)cyclopropanecarbonyl]amino]benzoate (CID 109132150) is ethyl 4-[[2-(cyclopentylcarbamoyl)cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(cyclopentylcarbamoyl)cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(cyclopentylcarbamoyl)cyclopropanecarbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)C2CC2C(=O)NC2CCCC2)cc1.
What is the InChIKey of ethyl 4-[[2-(cyclopentylcarbamoyl)cyclopropanecarbonyl]amino]benzoate?
The InChIKey is LZGLPQIRPZGZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-2-25-19(24)12-7-9-14(10-8-12)21-18(23)16-11-15(16)17(22)20-13-5-3-4-6-13/h7-10,13,15-16H,2-6,11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of ethyl 4-[[2-(cyclopentylcarbamoyl)cyclopropanecarbonyl]amino]benzoate?
ethyl 4-[[2-(cyclopentylcarbamoyl)cyclopropanecarbonyl]amino]benzoate has a molecular weight of 344.41 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(cyclopentylcarbamoyl)cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 109132150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).