1-(2-propan-2-yloxyphenyl)-3-prop-2-enylurea

C13H18N2O2 — CID 47221939

IUPAC1-(2-propan-2-yloxyphenyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C13H18N2O2/c1-4-9-14-13(16)15-11-7-5-6-8-12(11)17-10(2)3/h4-8,10H,1,9H2,2-3H3,(H2,14,15,16)
InChIKeyWIQJODFVVDINHU-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.78
Rot. Bonds5

About 1-(2-propan-2-yloxyphenyl)-3-prop-2-enylurea

1-(2-propan-2-yloxyphenyl)-3-prop-2-enylurea (PubChem CID 47221939) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyphenyl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(2-propan-2-yloxyphenyl)-3-prop-2-enylurea
PubChem CID47221939
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(2-propan-2-yloxyphenyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C13H18N2O2/c1-4-9-14-13(16)15-11-7-5-6-8-12(11)17-10(2)3/h4-8,10H,1,9H2,2-3H3,(H2,14,15,16)
InChIKeyWIQJODFVVDINHU-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
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

6-N-(2-propan-2-yloxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094133
1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea
CID 108988227
1-amino-3-(2-propan-2-yloxyphenyl)urea
CID 82283845
4-[(2-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 28511787
1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea
CID 47221937
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
2-hydroxy-2-methyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]propanoic acid
CID 122076220
1-(2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea
CID 47041181
1-(4-hydroxy-2,2-dimethylbutyl)-3-(2-propan-2-yloxyphenyl)urea
CID 111473765
1-(2-chlorophenyl)-3-prop-2-enylurea
CID 4277664
N-(2-propan-2-yloxyphenyl)-2-(prop-2-enylamino)pyridine-4-carboxamide
CID 109165373
1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea
CID 52591377

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyphenyl)-3-prop-2-enylurea?
The IUPAC name of 1-(2-propan-2-yloxyphenyl)-3-prop-2-enylurea (CID 47221939) is 1-(2-propan-2-yloxyphenyl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(2-propan-2-yloxyphenyl)-3-prop-2-enylurea?
The canonical SMILES for 1-(2-propan-2-yloxyphenyl)-3-prop-2-enylurea is C=CCNC(=O)Nc1ccccc1OC(C)C.
What is the InChIKey of 1-(2-propan-2-yloxyphenyl)-3-prop-2-enylurea?
The InChIKey is WIQJODFVVDINHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-9-14-13(16)15-11-7-5-6-8-12(11)17-10(2)3/h4-8,10H,1,9H2,2-3H3,(H2,14,15,16).
What are the key properties of 1-(2-propan-2-yloxyphenyl)-3-prop-2-enylurea?
1-(2-propan-2-yloxyphenyl)-3-prop-2-enylurea has a molecular weight of 234.30 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyphenyl)-3-prop-2-enylurea is sourced from PubChem (CID 47221939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).