1-(3,4-dimethoxyphenyl)-3-prop-2-enylurea

C12H16N2O3 — CID 17277594

IUPAC1-(3,4-dimethoxyphenyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C12H16N2O3/c1-4-7-13-12(15)14-9-5-6-10(16-2)11(8-9)17-3/h4-6,8H,1,7H2,2-3H3,(H2,13,14,15)
InChIKeyHEDBBSPLWGRGLP-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.01
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-3-prop-2-enylurea

1-(3,4-dimethoxyphenyl)-3-prop-2-enylurea (PubChem CID 17277594) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-prop-2-enylurea
PubChem CID17277594
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-(3,4-dimethoxyphenyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C12H16N2O3/c1-4-7-13-12(15)14-9-5-6-10(16-2)11(8-9)17-3/h4-6,8H,1,7H2,2-3H3,(H2,13,14,15)
InChIKeyHEDBBSPLWGRGLP-UHFFFAOYSA-N
XLogP2.01
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.01
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-bromo-4,5-dimethoxyphenyl)-3-prop-2-enylurea
CID 47375927
4-methoxy-3-(prop-2-enylcarbamoylamino)benzoic acid
CID 63742260
3-[(3,4-dimethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66167135
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
1-(4-hydroxyphenyl)-3-prop-2-enylurea
CID 67731511
1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea
CID 108866246
1-(3-methylphenyl)-3-[4-(prop-2-enylcarbamoylamino)phenyl]urea
CID 36517218
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980100
1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
CID 113213805
1-[(4-bromophenyl)methyl]-3-(3,4-dimethoxyphenyl)urea
CID 108866298
1-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)urea
CID 23764462
1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4995213

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-prop-2-enylurea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-prop-2-enylurea (CID 17277594) is 1-(3,4-dimethoxyphenyl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-prop-2-enylurea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-prop-2-enylurea is C=CCNC(=O)Nc1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-prop-2-enylurea?
The InChIKey is HEDBBSPLWGRGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-4-7-13-12(15)14-9-5-6-10(16-2)11(8-9)17-3/h4-6,8H,1,7H2,2-3H3,(H2,13,14,15).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-prop-2-enylurea?
1-(3,4-dimethoxyphenyl)-3-prop-2-enylurea has a molecular weight of 236.27 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-prop-2-enylurea is sourced from PubChem (CID 17277594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).