1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-prop-2-enylurea

C14H20N2O3 — CID 90598260

IUPAC1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)NCC(OC)c1ccccc1OC
InChIInChI=1S/C14H20N2O3/c1-4-9-15-14(17)16-10-13(19-3)11-7-5-6-8-12(11)18-2/h4-8,13H,1,9-10H2,2-3H3,(H2,15,16,17)
InChIKeyCUFYEHUVBKVNSP-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.87
Rot. Bonds7

About 1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-prop-2-enylurea

1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-prop-2-enylurea (PubChem CID 90598260) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-prop-2-enylurea.

Molecular Properties

Compound Name1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-prop-2-enylurea
PubChem CID90598260
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Name1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)NCC(OC)c1ccccc1OC
InChIInChI=1S/C14H20N2O3/c1-4-9-15-14(17)16-10-13(19-3)11-7-5-6-8-12(11)18-2/h4-8,13H,1,9-10H2,2-3H3,(H2,15,16,17)
InChIKeyCUFYEHUVBKVNSP-UHFFFAOYSA-N
XLogP1.87
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-propan-2-ylurea
CID 90598262
1-(4-tert-butylphenyl)-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea
CID 90598283
1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea
CID 90598282
1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methoxy-2-(2-methoxyphenyl)ethyl]urea
CID 129373912
2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-prop-2-enylpropanamide
CID 81387842
2-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 90598704
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
CID 90597977
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide
CID 90597971
2-methoxy-2-(2-methoxyphenyl)-N-methylethanamine
CID 53276193
2-methoxy-N-prop-2-enylbenzamide
CID 4063222
2,6-dimethoxy-N-prop-2-enylbenzamide
CID 3569670
1-[1-(2-propan-2-ylphenoxy)ethyl]-3-prop-2-enylurea
CID 108878787

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-prop-2-enylurea?
The IUPAC name of 1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-prop-2-enylurea (CID 90598260) is 1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-prop-2-enylurea.
What is the SMILES notation for 1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-prop-2-enylurea?
The canonical SMILES for 1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-prop-2-enylurea is C=CCNC(=O)NCC(OC)c1ccccc1OC.
What is the InChIKey of 1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-prop-2-enylurea?
The InChIKey is CUFYEHUVBKVNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-9-15-14(17)16-10-13(19-3)11-7-5-6-8-12(11)18-2/h4-8,13H,1,9-10H2,2-3H3,(H2,15,16,17).
What are the key properties of 1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-prop-2-enylurea?
1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-prop-2-enylurea has a molecular weight of 264.33 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-prop-2-enylurea is sourced from PubChem (CID 90598260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).