[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate

C15H21N3O4 — CID 2394739

IUPAC[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
SMILESCn1cccc1C(=O)OCC(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C15H21N3O4/c1-18-9-5-8-12(18)14(20)22-10-13(19)17-15(21)16-11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7,10H2,1H3,(H2,16,17,19,21)
InChIKeyCQVFWCFRSSIEBT-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.34
Rot. Bonds4

About [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate (PubChem CID 2394739) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
PubChem CID2394739
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
SMILESCn1cccc1C(=O)OCC(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C15H21N3O4/c1-18-9-5-8-12(18)14(20)22-10-13(19)17-15(21)16-11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7,10H2,1H3,(H2,16,17,19,21)
InChIKeyCQVFWCFRSSIEBT-UHFFFAOYSA-N
XLogP1.34
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-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-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate (CID 2394739) is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate.
What is the SMILES notation for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The canonical SMILES for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate is Cn1cccc1C(=O)OCC(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The InChIKey is CQVFWCFRSSIEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-18-9-5-8-12(18)14(20)22-10-13(19)17-15(21)16-11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7,10H2,1H3,(H2,16,17,19,21).
What are the key properties of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 2394739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).