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

C16H22N2O2 — CID 108884391

IUPAC3-[(4-ethoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)NCc1ccc(OCC)cc1
InChIInChI=1S/C16H22N2O2/c1-4-11-18(12-5-2)16(19)17-13-14-7-9-15(10-8-14)20-6-3/h4-5,7-10H,1-2,6,11-13H2,3H3,(H,17,19)
InChIKeyVNKYRRBTRKNGDN-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.97
Rot. Bonds8

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

3-[(4-ethoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea (PubChem CID 108884391) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea
PubChem CID108884391
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-[(4-ethoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)NCc1ccc(OCC)cc1
InChIInChI=1S/C16H22N2O2/c1-4-11-18(12-5-2)16(19)17-13-14-7-9-15(10-8-14)20-6-3/h4-5,7-10H,1-2,6,11-13H2,3H3,(H,17,19)
InChIKeyVNKYRRBTRKNGDN-UHFFFAOYSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.97
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-methoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108868165
3-[(4-ethoxyphenyl)methyl]-1,1-dipropylurea
CID 108884488
3-[(4-fluorophenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108867664
3-[(4-ethoxyphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 108884453
1-[(4-ethoxyphenyl)methyl]-3-prop-2-enylurea
CID 108884465
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
2-chloro-N-[(4-ethoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 39366818
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
1-[(4-ethoxyphenyl)methyl]-3-ethylurea
CID 108884423
1,1-diethyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 60547827
1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]-1-prop-2-enylurea
CID 111424142
1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea
CID 2988168

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea?
The IUPAC name of 3-[(4-ethoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea (CID 108884391) is 3-[(4-ethoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea.
What is the SMILES notation for 3-[(4-ethoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea?
The canonical SMILES for 3-[(4-ethoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea is C=CCN(CC=C)C(=O)NCc1ccc(OCC)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea?
The InChIKey is VNKYRRBTRKNGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-11-18(12-5-2)16(19)17-13-14-7-9-15(10-8-14)20-6-3/h4-5,7-10H,1-2,6,11-13H2,3H3,(H,17,19).
What are the key properties of 3-[(4-ethoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea?
3-[(4-ethoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea has a molecular weight of 274.36 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea is sourced from PubChem (CID 108884391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).