1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

C20H29N3O2 — CID 2326268

IUPAC1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)NCCCN2CCCC2=O)c1
InChIInChI=1S/C20H29N3O2/c1-15(2)16-8-5-9-17(14-16)20(3,4)22-19(25)21-11-7-13-23-12-6-10-18(23)24/h5,8-9,14H,1,6-7,10-13H2,2-4H3,(H2,21,22,25)
InChIKeyDHMXLODDWWGUKD-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.27
Rot. Bonds7

About 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (PubChem CID 2326268) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
PubChem CID2326268
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)NCCCN2CCCC2=O)c1
InChIInChI=1S/C20H29N3O2/c1-15(2)16-8-5-9-17(14-16)20(3,4)22-19(25)21-11-7-13-23-12-6-10-18(23)24/h5,8-9,14H,1,6-7,10-13H2,2-4H3,(H2,21,22,25)
InChIKeyDHMXLODDWWGUKD-UHFFFAOYSA-N
XLogP3.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-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-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The IUPAC name of 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (CID 2326268) is 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The canonical SMILES for 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is C=C(C)c1cccc(C(C)(C)NC(=O)NCCCN2CCCC2=O)c1.
What is the InChIKey of 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The InChIKey is DHMXLODDWWGUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15(2)16-8-5-9-17(14-16)20(3,4)22-19(25)21-11-7-13-23-12-6-10-18(23)24/h5,8-9,14H,1,6-7,10-13H2,2-4H3,(H2,21,22,25).
What are the key properties of 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea has a molecular weight of 343.47 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is sourced from PubChem (CID 2326268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).