1-[2-(2-methoxyphenyl)ethyl]-3-[(E)-2-methylbut-1-enyl]urea

C15H22N2O2 — CID 108914510

IUPAC1-[2-(2-methoxyphenyl)ethyl]-3-[(E)-2-methylbut-1-enyl]urea
SMILESCC/C(C)=C/NC(=O)NCCc1ccccc1OC
InChIInChI=1S/C15H22N2O2/c1-4-12(2)11-17-15(18)16-10-9-13-7-5-6-8-14(13)19-3/h5-8,11H,4,9-10H2,1-3H3,(H2,16,17,18)/b12-11+
InChIKeyIRSTWPSAERVWJG-VAWYXSNFSA-N
MW262.35 g/mol
LogP2.85
Rot. Bonds6

About 1-[2-(2-methoxyphenyl)ethyl]-3-[(E)-2-methylbut-1-enyl]urea

1-[2-(2-methoxyphenyl)ethyl]-3-[(E)-2-methylbut-1-enyl]urea (PubChem CID 108914510) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-3-[(E)-2-methylbut-1-enyl]urea.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-3-[(E)-2-methylbut-1-enyl]urea
PubChem CID108914510
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-3-[(E)-2-methylbut-1-enyl]urea
SMILESCC/C(C)=C/NC(=O)NCCc1ccccc1OC
InChIInChI=1S/C15H22N2O2/c1-4-12(2)11-17-15(18)16-10-9-13-7-5-6-8-14(13)19-3/h5-8,11H,4,9-10H2,1-3H3,(H2,16,17,18)/b12-11+
InChIKeyIRSTWPSAERVWJG-VAWYXSNFSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-bromophenyl)ethyl]-3-[(E)-2-methylbut-1-enyl]urea
CID 108914513
N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide
CID 110609793
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095
1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112971672
1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108906013
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905
1-[3-(diethylamino)propyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108899894
2-bromo-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 106260338
(2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid
CID 113363047
2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 106262032
N-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 15179102
1-[(E)-2-cyclohexylethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108912327

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-[(E)-2-methylbut-1-enyl]urea?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-[(E)-2-methylbut-1-enyl]urea (CID 108914510) is 1-[2-(2-methoxyphenyl)ethyl]-3-[(E)-2-methylbut-1-enyl]urea.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-3-[(E)-2-methylbut-1-enyl]urea?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-3-[(E)-2-methylbut-1-enyl]urea is CC/C(C)=C/NC(=O)NCCc1ccccc1OC.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-3-[(E)-2-methylbut-1-enyl]urea?
The InChIKey is IRSTWPSAERVWJG-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-12(2)11-17-15(18)16-10-9-13-7-5-6-8-14(13)19-3/h5-8,11H,4,9-10H2,1-3H3,(H2,16,17,18)/b12-11+.
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-3-[(E)-2-methylbut-1-enyl]urea?
1-[2-(2-methoxyphenyl)ethyl]-3-[(E)-2-methylbut-1-enyl]urea has a molecular weight of 262.35 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]-3-[(E)-2-methylbut-1-enyl]urea is sourced from PubChem (CID 108914510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).