1-[1-(2-propan-2-ylphenoxy)ethyl]-3-prop-2-enylurea

C15H22N2O2 — CID 108878787

IUPAC1-[1-(2-propan-2-ylphenoxy)ethyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)NC(C)Oc1ccccc1C(C)C
InChIInChI=1S/C15H22N2O2/c1-5-10-16-15(18)17-12(4)19-14-9-7-6-8-13(14)11(2)3/h5-9,11-12H,1,10H2,2-4H3,(H2,16,17,18)
InChIKeyATSVSZAIGWTELS-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.02
Rot. Bonds6

About 1-[1-(2-propan-2-ylphenoxy)ethyl]-3-prop-2-enylurea

1-[1-(2-propan-2-ylphenoxy)ethyl]-3-prop-2-enylurea (PubChem CID 108878787) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[1-(2-propan-2-ylphenoxy)ethyl]-3-prop-2-enylurea.

Molecular Properties

Compound Name1-[1-(2-propan-2-ylphenoxy)ethyl]-3-prop-2-enylurea
PubChem CID108878787
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[1-(2-propan-2-ylphenoxy)ethyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)NC(C)Oc1ccccc1C(C)C
InChIInChI=1S/C15H22N2O2/c1-5-10-16-15(18)17-12(4)19-14-9-7-6-8-13(14)11(2)3/h5-9,11-12H,1,10H2,2-4H3,(H2,16,17,18)
InChIKeyATSVSZAIGWTELS-UHFFFAOYSA-N
XLogP3.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878836
1-[(4-bromophenyl)methyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878923
1-(4-phenylbutyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878945
1-[2-(3-fluorophenyl)ethyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878931
1-[1-(2-propan-2-ylphenoxy)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108878902
1-(2-propan-2-yloxyphenyl)-3-prop-2-enylurea
CID 47221939
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878886
N-(3-aminopropyl)-N-[1-(2-propan-2-ylphenoxy)ethylcarbamoyl]formamide
CID 108878811
1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-prop-2-enylurea
CID 90598260
1-(3-bromophenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878820
1-(3-chloro-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878608
1-(4-iodo-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878706

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-propan-2-ylphenoxy)ethyl]-3-prop-2-enylurea?
The IUPAC name of 1-[1-(2-propan-2-ylphenoxy)ethyl]-3-prop-2-enylurea (CID 108878787) is 1-[1-(2-propan-2-ylphenoxy)ethyl]-3-prop-2-enylurea.
What is the SMILES notation for 1-[1-(2-propan-2-ylphenoxy)ethyl]-3-prop-2-enylurea?
The canonical SMILES for 1-[1-(2-propan-2-ylphenoxy)ethyl]-3-prop-2-enylurea is C=CCNC(=O)NC(C)Oc1ccccc1C(C)C.
What is the InChIKey of 1-[1-(2-propan-2-ylphenoxy)ethyl]-3-prop-2-enylurea?
The InChIKey is ATSVSZAIGWTELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-10-16-15(18)17-12(4)19-14-9-7-6-8-13(14)11(2)3/h5-9,11-12H,1,10H2,2-4H3,(H2,16,17,18).
What are the key properties of 1-[1-(2-propan-2-ylphenoxy)ethyl]-3-prop-2-enylurea?
1-[1-(2-propan-2-ylphenoxy)ethyl]-3-prop-2-enylurea has a molecular weight of 262.35 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-propan-2-ylphenoxy)ethyl]-3-prop-2-enylurea is sourced from PubChem (CID 108878787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).