3-[(4-methoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea

C15H20N2O2 — CID 108868165

IUPAC3-[(4-methoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C15H20N2O2/c1-4-10-17(11-5-2)15(18)16-12-13-6-8-14(19-3)9-7-13/h4-9H,1-2,10-12H2,3H3,(H,16,18)
InChIKeyWOQIYDNAHGWUBR-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.58
Rot. Bonds7

About 3-[(4-methoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea

3-[(4-methoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea (PubChem CID 108868165) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea
PubChem CID108868165
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-[(4-methoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C15H20N2O2/c1-4-10-17(11-5-2)15(18)16-12-13-6-8-14(19-3)9-7-13/h4-9H,1-2,10-12H2,3H3,(H,16,18)
InChIKeyWOQIYDNAHGWUBR-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-ethoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108884391
1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea
CID 2988168
3-[(4-chlorophenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108899227
3-[(4-fluorophenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108867664
1-[(E)-3,3-dimethylbut-1-enyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108911310
N-ethyl-4-methoxy-N-prop-2-enylbenzamide
CID 84558976
2,2,2-tribromo-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 10527770
1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]-1-prop-2-enylurea
CID 111424142
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
O-methyl N-[(4-methoxyphenyl)methylcarbamoyl]-N-sulfanylcarbamothioate
CID 151276492
N,N-diethyl-4-[[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide
CID 55795743
(E)-N-[(4-methoxyphenyl)methyl]-2-methylbut-2-enamide
CID 134086963

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea (CID 108868165) is 3-[(4-methoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea is C=CCN(CC=C)C(=O)NCc1ccc(OC)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea?
The InChIKey is WOQIYDNAHGWUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-10-17(11-5-2)15(18)16-12-13-6-8-14(19-3)9-7-13/h4-9H,1-2,10-12H2,3H3,(H,16,18).
What are the key properties of 3-[(4-methoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea?
3-[(4-methoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea has a molecular weight of 260.34 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea is sourced from PubChem (CID 108868165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).