1-(2-ethoxy-4-methylphenyl)-3-prop-2-enylurea

C13H18N2O2 — CID 47261966

IUPAC1-(2-ethoxy-4-methylphenyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccc(C)cc1OCC
InChIInChI=1S/C13H18N2O2/c1-4-8-14-13(16)15-11-7-6-10(3)9-12(11)17-5-2/h4,6-7,9H,1,5,8H2,2-3H3,(H2,14,15,16)
InChIKeyHLOIUZGSIOWHHV-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.70
Rot. Bonds5

About 1-(2-ethoxy-4-methylphenyl)-3-prop-2-enylurea

1-(2-ethoxy-4-methylphenyl)-3-prop-2-enylurea (PubChem CID 47261966) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(2-ethoxy-4-methylphenyl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(2-ethoxy-4-methylphenyl)-3-prop-2-enylurea
PubChem CID47261966
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(2-ethoxy-4-methylphenyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccc(C)cc1OCC
InChIInChI=1S/C13H18N2O2/c1-4-8-14-13(16)15-11-7-6-10(3)9-12(11)17-5-2/h4,6-7,9H,1,5,8H2,2-3H3,(H2,14,15,16)
InChIKeyHLOIUZGSIOWHHV-UHFFFAOYSA-N
XLogP2.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxy-4-methylphenyl)-3-(3-hydroxybutyl)urea
CID 111336863
3-[(2-ethoxy-4-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122076836
3-(2-ethoxy-4-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896946
1-[2-(diethylamino)ethyl]-3-(4-methyl-2-propoxyphenyl)urea
CID 55925113
tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate
CID 65142813
(2R)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylbutanamide
CID 79013044
1-(2-ethoxy-4-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111453119
(2S)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylpentanamide
CID 61173731
2-amino-N-(2-ethoxy-4-methylphenyl)-3,3-dimethylbutanamide
CID 76888007
1-(4-methyl-2-propoxyphenyl)-3-(2-methylpropyl)urea
CID 47262023
4-[(2-ethoxy-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076839
N-(2-ethoxy-4-methylphenyl)-3-(propan-2-ylamino)propanamide
CID 54862887

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4-methylphenyl)-3-prop-2-enylurea?
The IUPAC name of 1-(2-ethoxy-4-methylphenyl)-3-prop-2-enylurea (CID 47261966) is 1-(2-ethoxy-4-methylphenyl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(2-ethoxy-4-methylphenyl)-3-prop-2-enylurea?
The canonical SMILES for 1-(2-ethoxy-4-methylphenyl)-3-prop-2-enylurea is C=CCNC(=O)Nc1ccc(C)cc1OCC.
What is the InChIKey of 1-(2-ethoxy-4-methylphenyl)-3-prop-2-enylurea?
The InChIKey is HLOIUZGSIOWHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-8-14-13(16)15-11-7-6-10(3)9-12(11)17-5-2/h4,6-7,9H,1,5,8H2,2-3H3,(H2,14,15,16).
What are the key properties of 1-(2-ethoxy-4-methylphenyl)-3-prop-2-enylurea?
1-(2-ethoxy-4-methylphenyl)-3-prop-2-enylurea has a molecular weight of 234.30 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-4-methylphenyl)-3-prop-2-enylurea is sourced from PubChem (CID 47261966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).