1-(3-cyclopenta-1,3,4-trien-1-ylpropyl)-3-(3-phenylpropyl)urea

C18H22N2O — CID 144815183

IUPAC1-(3-cyclopenta-1,3,4-trien-1-ylpropyl)-3-(3-phenylpropyl)urea
SMILESO=C(NCCCC1=CC=C=C1)NCCCc1ccccc1
InChIInChI=1S/C18H22N2O/c21-18(20-15-7-13-17-10-4-5-11-17)19-14-6-12-16-8-2-1-3-9-16/h1-4,8-11H,6-7,12-15H2,(H2,19,20,21)
InChIKeyUBWXVTACJGWMNM-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.35
Rot. Bonds8

About 1-(3-cyclopenta-1,3,4-trien-1-ylpropyl)-3-(3-phenylpropyl)urea

1-(3-cyclopenta-1,3,4-trien-1-ylpropyl)-3-(3-phenylpropyl)urea (PubChem CID 144815183) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(3-cyclopenta-1,3,4-trien-1-ylpropyl)-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-(3-cyclopenta-1,3,4-trien-1-ylpropyl)-3-(3-phenylpropyl)urea
PubChem CID144815183
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-(3-cyclopenta-1,3,4-trien-1-ylpropyl)-3-(3-phenylpropyl)urea
SMILESO=C(NCCCC1=CC=C=C1)NCCCc1ccccc1
InChIInChI=1S/C18H22N2O/c21-18(20-15-7-13-17-10-4-5-11-17)19-14-6-12-16-8-2-1-3-9-16/h1-4,8-11H,6-7,12-15H2,(H2,19,20,21)
InChIKeyUBWXVTACJGWMNM-UHFFFAOYSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3-cyclopenta-1,3,4-trien-1-ylpropyl)-3-(3-phenylpropyl)urea with MolForge

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

Launch Full Analysis

Related Compounds

1-ethyl-3-(3-phenylpropyl)urea
CID 11769661
1-[2-[bis[2-(3-phenylpropylcarbamoylamino)ethyl]amino]ethyl]-3-(3-phenylpropyl)urea
CID 101049094
4-(5-phenylpentylcarbamoylamino)butanoic acid
CID 122000470
1-(4-phenylphenyl)-3-(3-phenylpropyl)urea
CID 108867243
3-(5-phenylpentylcarbamoylamino)propanoic acid
CID 122000469
8-phenyloctylcarbamic acid
CID 90271205
1-(2-iodophenyl)-3-(3-phenylpropyl)urea
CID 47192907
2-[2-(3-phenylpropylcarbamoylamino)ethoxy]acetic acid
CID 79463144
1-[3-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropyl)urea
CID 108881887
1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea
CID 55570336
1-(3-phenylpropyl)-3-(1,3-thiazol-2-yl)urea
CID 47148360
3-phenylpropylurea;hydrochloride
CID 174579396

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopenta-1,3,4-trien-1-ylpropyl)-3-(3-phenylpropyl)urea?
The IUPAC name of 1-(3-cyclopenta-1,3,4-trien-1-ylpropyl)-3-(3-phenylpropyl)urea (CID 144815183) is 1-(3-cyclopenta-1,3,4-trien-1-ylpropyl)-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-(3-cyclopenta-1,3,4-trien-1-ylpropyl)-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-(3-cyclopenta-1,3,4-trien-1-ylpropyl)-3-(3-phenylpropyl)urea is O=C(NCCCC1=CC=C=C1)NCCCc1ccccc1.
What is the InChIKey of 1-(3-cyclopenta-1,3,4-trien-1-ylpropyl)-3-(3-phenylpropyl)urea?
The InChIKey is UBWXVTACJGWMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c21-18(20-15-7-13-17-10-4-5-11-17)19-14-6-12-16-8-2-1-3-9-16/h1-4,8-11H,6-7,12-15H2,(H2,19,20,21).
What are the key properties of 1-(3-cyclopenta-1,3,4-trien-1-ylpropyl)-3-(3-phenylpropyl)urea?
1-(3-cyclopenta-1,3,4-trien-1-ylpropyl)-3-(3-phenylpropyl)urea has a molecular weight of 282.39 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopenta-1,3,4-trien-1-ylpropyl)-3-(3-phenylpropyl)urea is sourced from PubChem (CID 144815183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).