1-[2-(4-methoxyphenyl)ethyl]-3-prop-1-en-2-ylurea

C13H18N2O2 — CID 108910187

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C13H18N2O2/c1-10(2)15-13(16)14-9-8-11-4-6-12(17-3)7-5-11/h4-7H,1,8-9H2,2-3H3,(H2,14,15,16)
InChIKeySXHWMBXMPNGZJH-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.07
Rot. Bonds5

About 1-[2-(4-methoxyphenyl)ethyl]-3-prop-1-en-2-ylurea

1-[2-(4-methoxyphenyl)ethyl]-3-prop-1-en-2-ylurea (PubChem CID 108910187) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-prop-1-en-2-ylurea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3-prop-1-en-2-ylurea
PubChem CID108910187
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C13H18N2O2/c1-10(2)15-13(16)14-9-8-11-4-6-12(17-3)7-5-11/h4-7H,1,8-9H2,2-3H3,(H2,14,15,16)
InChIKeySXHWMBXMPNGZJH-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-fluorophenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910401
1-[2-(4-bromophenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910473
1-(2-phenylethyl)-3-prop-1-en-2-ylurea
CID 108910178
3-acetamido-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 8896928
1-(2-cyanoethyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108902041
1-[2-(4-methoxyphenyl)ethyl]-3-octadecylurea
CID 139817703
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
2-amino-N-[2-(4-methoxyphenyl)ethylcarbamoyl]benzamide
CID 108901974
2-(4-methoxyphenyl)ethanamine;N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 158927905
1-(cyclopentylidenemethyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108913488
1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 727799
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-prop-1-en-2-ylurea?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-prop-1-en-2-ylurea (CID 108910187) is 1-[2-(4-methoxyphenyl)ethyl]-3-prop-1-en-2-ylurea.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-prop-1-en-2-ylurea?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-prop-1-en-2-ylurea is C=C(C)NC(=O)NCCc1ccc(OC)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-prop-1-en-2-ylurea?
The InChIKey is SXHWMBXMPNGZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(2)15-13(16)14-9-8-11-4-6-12(17-3)7-5-11/h4-7H,1,8-9H2,2-3H3,(H2,14,15,16).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-prop-1-en-2-ylurea?
1-[2-(4-methoxyphenyl)ethyl]-3-prop-1-en-2-ylurea has a molecular weight of 234.30 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3-prop-1-en-2-ylurea is sourced from PubChem (CID 108910187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).