1-benzyl-3-phenyl-1-prop-2-enylurea

C17H18N2O — CID 34697540

IUPAC1-benzyl-3-phenyl-1-prop-2-enylurea
SMILESC=CCN(Cc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H18N2O/c1-2-13-19(14-15-9-5-3-6-10-15)17(20)18-16-11-7-4-8-12-16/h2-12H,1,13-14H2,(H,18,20)
InChIKeyITXPVQHAQCEBES-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.91
Rot. Bonds5

About 1-benzyl-3-phenyl-1-prop-2-enylurea

1-benzyl-3-phenyl-1-prop-2-enylurea (PubChem CID 34697540) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-benzyl-3-phenyl-1-prop-2-enylurea.

Molecular Properties

Compound Name1-benzyl-3-phenyl-1-prop-2-enylurea
PubChem CID34697540
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-benzyl-3-phenyl-1-prop-2-enylurea
SMILESC=CCN(Cc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H18N2O/c1-2-13-19(14-15-9-5-3-6-10-15)17(20)18-16-11-7-4-8-12-16/h2-12H,1,13-14H2,(H,18,20)
InChIKeyITXPVQHAQCEBES-UHFFFAOYSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyethyl)-3-phenyl-1-prop-2-enylurea
CID 111423629
N-benzyl-2-[phenylcarbamoyl(prop-2-enyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3995842
1-benzyl-3-(2-methylsulfanylphenyl)-1-prop-2-enylurea
CID 86987076
2-[3-[[benzyl(prop-2-enyl)carbamoyl]amino]phenoxy]-N,N-dimethylacetamide
CID 51118808
2-[benzyl(prop-2-enyl)amino]-2-oxoacetic acid
CID 130696057
1-benzyl-3-phenyl-1-propylurea
CID 78786424
3-[4-[[4-[bis(prop-2-enyl)carbamoylamino]phenyl]methyl]phenyl]-1,1-bis(prop-2-enyl)urea
CID 4614522
3-[3-[bis(prop-2-enyl)carbamoylamino]phenyl]propanoic acid
CID 115340495
2-[bis(prop-2-enyl)amino]-N-phenyl-2-sulfanylideneacetamide
CID 535398
N-benzyl-2-fluoro-N-prop-2-enylprop-2-enamide
CID 71369406
N-benzyl-2,2-dichloro-N-prop-2-enylacetamide
CID 10083827
N-benzyl-N-prop-2-enylcarbamodithioate
CID 171600521

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-phenyl-1-prop-2-enylurea?
The IUPAC name of 1-benzyl-3-phenyl-1-prop-2-enylurea (CID 34697540) is 1-benzyl-3-phenyl-1-prop-2-enylurea.
What is the SMILES notation for 1-benzyl-3-phenyl-1-prop-2-enylurea?
The canonical SMILES for 1-benzyl-3-phenyl-1-prop-2-enylurea is C=CCN(Cc1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of 1-benzyl-3-phenyl-1-prop-2-enylurea?
The InChIKey is ITXPVQHAQCEBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-2-13-19(14-15-9-5-3-6-10-15)17(20)18-16-11-7-4-8-12-16/h2-12H,1,13-14H2,(H,18,20).
What are the key properties of 1-benzyl-3-phenyl-1-prop-2-enylurea?
1-benzyl-3-phenyl-1-prop-2-enylurea has a molecular weight of 266.34 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-phenyl-1-prop-2-enylurea is sourced from PubChem (CID 34697540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).