ethyl 4-[[1-(2-methylpropylcarbamoyl)cyclopropanecarbonyl]amino]benzoate

C18H24N2O4 — CID 108971338

IUPACethyl 4-[[1-(2-methylpropylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2(C(=O)NCC(C)C)CC2)cc1
InChIInChI=1S/C18H24N2O4/c1-4-24-15(21)13-5-7-14(8-6-13)20-17(23)18(9-10-18)16(22)19-11-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,19,22)(H,20,23)
InChIKeySCXAIABIUBVUIS-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.35
Rot. Bonds7

About ethyl 4-[[1-(2-methylpropylcarbamoyl)cyclopropanecarbonyl]amino]benzoate

ethyl 4-[[1-(2-methylpropylcarbamoyl)cyclopropanecarbonyl]amino]benzoate (PubChem CID 108971338) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 4-[[1-(2-methylpropylcarbamoyl)cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[1-(2-methylpropylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
PubChem CID108971338
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Nameethyl 4-[[1-(2-methylpropylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2(C(=O)NCC(C)C)CC2)cc1
InChIInChI=1S/C18H24N2O4/c1-4-24-15(21)13-5-7-14(8-6-13)20-17(23)18(9-10-18)16(22)19-11-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,19,22)(H,20,23)
InChIKeySCXAIABIUBVUIS-UHFFFAOYSA-N
XLogP2.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-(4-ethylphenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971270
ethyl 4-[[1-[(4-methylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108980918
1-N'-(4-acetamidophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971312
ethyl 4-[[1-[2-(2-fluorophenyl)ethylcarbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108977427
1-N-(2-methylpropyl)-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108971320
ethyl 4-[[1-[(3-cyanophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108983739
1-N'-(4-ethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108979652
ethyl 4-(4-methylpentanoylamino)benzoate
CID 43404103
ethyl 4-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoate
CID 63141450
ethyl 4-[(4-methoxypiperidine-4-carbonyl)amino]benzoate
CID 119672458
ethyl 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzoate
CID 8885490
ethyl 4-(2-chloropropanoylamino)benzoate
CID 42599434

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(2-methylpropylcarbamoyl)cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[1-(2-methylpropylcarbamoyl)cyclopropanecarbonyl]amino]benzoate (CID 108971338) is ethyl 4-[[1-(2-methylpropylcarbamoyl)cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[1-(2-methylpropylcarbamoyl)cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[1-(2-methylpropylcarbamoyl)cyclopropanecarbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)C2(C(=O)NCC(C)C)CC2)cc1.
What is the InChIKey of ethyl 4-[[1-(2-methylpropylcarbamoyl)cyclopropanecarbonyl]amino]benzoate?
The InChIKey is SCXAIABIUBVUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-4-24-15(21)13-5-7-14(8-6-13)20-17(23)18(9-10-18)16(22)19-11-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of ethyl 4-[[1-(2-methylpropylcarbamoyl)cyclopropanecarbonyl]amino]benzoate?
ethyl 4-[[1-(2-methylpropylcarbamoyl)cyclopropanecarbonyl]amino]benzoate has a molecular weight of 332.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(2-methylpropylcarbamoyl)cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 108971338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).