Skip to content

1-cycloheptyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea

C20H27N3O4 — CID 18564547

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-cycloheptyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea
SMILESO=C(NC1CCCCCC1)NC1CC(=O)N(c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C20H27N3O4/c24-19-11-15(22-20(25)21-14-5-3-1-2-4-6-14)13-23(19)16-7-8-17-18(12-16)27-10-9-26-17/h7-8,12,14-15H,1-6,9-11,13H2,(H2,21,22,25)
InChIKeyWQAWESZPQMELER-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.59
Rot. Bonds3

About 1-cycloheptyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea

1-cycloheptyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 18564547) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 1-cycloheptyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-cycloheptyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea
PubChem CID18564547
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name1-cycloheptyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea
SMILESO=C(NC1CCCCCC1)NC1CC(=O)N(c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C20H27N3O4/c24-19-11-15(22-20(25)21-14-5-3-1-2-4-6-14)13-23(19)16-7-8-17-18(12-16)27-10-9-26-17/h7-8,12,14-15H,1-6,9-11,13H2,(H2,21,22,25)
InChIKeyWQAWESZPQMELER-UHFFFAOYSA-N
XLogP2.59
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cycloheptyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea 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 1-cycloheptyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-cycloheptyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea (CID 18564547) is 1-cycloheptyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-cycloheptyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-cycloheptyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea is O=C(NC1CCCCCC1)NC1CC(=O)N(c2ccc3c(c2)OCCO3)C1.
What is the InChIKey of 1-cycloheptyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is WQAWESZPQMELER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c24-19-11-15(22-20(25)21-14-5-3-1-2-4-6-14)13-23(19)16-7-8-17-18(12-16)27-10-9-26-17/h7-8,12,14-15H,1-6,9-11,13H2,(H2,21,22,25).
What are the key properties of 1-cycloheptyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea?
1-cycloheptyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 373.45 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 18564547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.