[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate

C16H19ClN2O5 — CID 2532949

IUPAC[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
SMILESCOCCNC(=O)NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H19ClN2O5/c1-23-9-8-18-15(22)19-13(20)10-24-14(21)16(6-7-16)11-2-4-12(17)5-3-11/h2-5H,6-10H2,1H3,(H2,18,19,20,22)
InChIKeyZUUVNFSDZDPXPE-UHFFFAOYSA-N
MW354.79 g/mol
LogP1.39
Rot. Bonds7

About [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate

[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate (PubChem CID 2532949) has the molecular formula C16H19ClN2O5 and a molecular weight of 354.79 g/mol. Its IUPAC name is [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
PubChem CID2532949
Molecular FormulaC16H19ClN2O5
Molecular Weight354.79 g/mol
Exact Mass354.10
IUPAC Name[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
SMILESCOCCNC(=O)NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H19ClN2O5/c1-23-9-8-18-15(22)19-13(20)10-24-14(21)16(6-7-16)11-2-4-12(17)5-3-11/h2-5H,6-10H2,1H3,(H2,18,19,20,22)
InChIKeyZUUVNFSDZDPXPE-UHFFFAOYSA-N
XLogP1.39
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate (CID 2532949) is [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate is COCCNC(=O)NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
The InChIKey is ZUUVNFSDZDPXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O5/c1-23-9-8-18-15(22)19-13(20)10-24-14(21)16(6-7-16)11-2-4-12(17)5-3-11/h2-5H,6-10H2,1H3,(H2,18,19,20,22).
What are the key properties of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate has a molecular weight of 354.79 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 2532949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).