1-(2-hydroxyethyl)-3-phenyl-1-prop-2-enylurea

C12H16N2O2 — CID 111423629

IUPAC1-(2-hydroxyethyl)-3-phenyl-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)Nc1ccccc1
InChIInChI=1S/C12H16N2O2/c1-2-8-14(9-10-15)12(16)13-11-6-4-3-5-7-11/h2-7,15H,1,8-10H2,(H,13,16)
InChIKeyJXEFGFJWPJPQLH-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.70
Rot. Bonds5

About 1-(2-hydroxyethyl)-3-phenyl-1-prop-2-enylurea

1-(2-hydroxyethyl)-3-phenyl-1-prop-2-enylurea (PubChem CID 111423629) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-phenyl-1-prop-2-enylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-phenyl-1-prop-2-enylurea
PubChem CID111423629
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(2-hydroxyethyl)-3-phenyl-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)Nc1ccccc1
InChIInChI=1S/C12H16N2O2/c1-2-8-14(9-10-15)12(16)13-11-6-4-3-5-7-11/h2-7,15H,1,8-10H2,(H,13,16)
InChIKeyJXEFGFJWPJPQLH-UHFFFAOYSA-N
XLogP1.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyethyl)-1-prop-2-enyl-3-[4-(trifluoromethyl)phenyl]urea
CID 115633231
1-benzyl-3-phenyl-1-prop-2-enylurea
CID 34697540
3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423625
1-(2-hydroxyethyl)-3-(3-methylsulfinylphenyl)-1-prop-2-enylurea
CID 111426579
3-(3-bromo-4-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111475913
3-(2,3-dichlorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423861
4-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209575
3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424052
2-[bis(prop-2-enyl)amino]-N-phenyl-2-sulfanylideneacetamide
CID 535398
3-[4-(cyclopentyloxymethyl)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111443397
2-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 39076171
3-[2-(difluoromethoxy)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423887

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-phenyl-1-prop-2-enylurea?
The IUPAC name of 1-(2-hydroxyethyl)-3-phenyl-1-prop-2-enylurea (CID 111423629) is 1-(2-hydroxyethyl)-3-phenyl-1-prop-2-enylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-phenyl-1-prop-2-enylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-phenyl-1-prop-2-enylurea is C=CCN(CCO)C(=O)Nc1ccccc1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-phenyl-1-prop-2-enylurea?
The InChIKey is JXEFGFJWPJPQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-8-14(9-10-15)12(16)13-11-6-4-3-5-7-11/h2-7,15H,1,8-10H2,(H,13,16).
What are the key properties of 1-(2-hydroxyethyl)-3-phenyl-1-prop-2-enylurea?
1-(2-hydroxyethyl)-3-phenyl-1-prop-2-enylurea has a molecular weight of 220.27 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-phenyl-1-prop-2-enylurea is sourced from PubChem (CID 111423629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).