1-propan-2-yl-3-(2-prop-2-enoxyphenyl)urea

C13H18N2O2 — CID 89224365

IUPAC1-propan-2-yl-3-(2-prop-2-enoxyphenyl)urea
SMILESC=CCOc1ccccc1NC(=O)NC(C)C
InChIInChI=1S/C13H18N2O2/c1-4-9-17-12-8-6-5-7-11(12)15-13(16)14-10(2)3/h4-8,10H,1,9H2,2-3H3,(H2,14,15,16)
InChIKeyLOXQCWFURDKXOJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.78
Rot. Bonds5

About 1-propan-2-yl-3-(2-prop-2-enoxyphenyl)urea

1-propan-2-yl-3-(2-prop-2-enoxyphenyl)urea (PubChem CID 89224365) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-propan-2-yl-3-(2-prop-2-enoxyphenyl)urea.

Molecular Properties

Compound Name1-propan-2-yl-3-(2-prop-2-enoxyphenyl)urea
PubChem CID89224365
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-propan-2-yl-3-(2-prop-2-enoxyphenyl)urea
SMILESC=CCOc1ccccc1NC(=O)NC(C)C
InChIInChI=1S/C13H18N2O2/c1-4-9-17-12-8-6-5-7-11(12)15-13(16)14-10(2)3/h4-8,10H,1,9H2,2-3H3,(H2,14,15,16)
InChIKeyLOXQCWFURDKXOJ-UHFFFAOYSA-N
XLogP2.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-propan-2-yl-3-(2-prop-2-enoxyphenyl)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

2-(propan-2-ylamino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54817694
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
1-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3-propan-2-ylurea
CID 43369664
N-propan-2-yl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824529
2-(tert-butylamino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54813857
4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097960
4-phenyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097892
N-(2-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)acetamide
CID 112998813
N-propan-2-yl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide
CID 115581406
(2-prop-2-enoxyphenyl)thiourea
CID 169357900
N-[2-(2-prop-2-enoxyethoxy)phenyl]acetamide
CID 86096394
1-(1-hydroxypropan-2-yl)-3-(2-methoxyphenyl)urea
CID 43417318

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(2-prop-2-enoxyphenyl)urea?
The IUPAC name of 1-propan-2-yl-3-(2-prop-2-enoxyphenyl)urea (CID 89224365) is 1-propan-2-yl-3-(2-prop-2-enoxyphenyl)urea.
What is the SMILES notation for 1-propan-2-yl-3-(2-prop-2-enoxyphenyl)urea?
The canonical SMILES for 1-propan-2-yl-3-(2-prop-2-enoxyphenyl)urea is C=CCOc1ccccc1NC(=O)NC(C)C.
What is the InChIKey of 1-propan-2-yl-3-(2-prop-2-enoxyphenyl)urea?
The InChIKey is LOXQCWFURDKXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-9-17-12-8-6-5-7-11(12)15-13(16)14-10(2)3/h4-8,10H,1,9H2,2-3H3,(H2,14,15,16).
What are the key properties of 1-propan-2-yl-3-(2-prop-2-enoxyphenyl)urea?
1-propan-2-yl-3-(2-prop-2-enoxyphenyl)urea has a molecular weight of 234.30 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(2-prop-2-enoxyphenyl)urea is sourced from PubChem (CID 89224365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).