1-(2-phenylethyl)-3-prop-1-en-2-ylurea

C12H16N2O — CID 108910178

IUPAC1-(2-phenylethyl)-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)NCCc1ccccc1
InChIInChI=1S/C12H16N2O/c1-10(2)14-12(15)13-9-8-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3,(H2,13,14,15)
InChIKeyOQCQAEYKXZOAQE-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.06
Rot. Bonds4

About 1-(2-phenylethyl)-3-prop-1-en-2-ylurea

1-(2-phenylethyl)-3-prop-1-en-2-ylurea (PubChem CID 108910178) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-prop-1-en-2-ylurea.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-prop-1-en-2-ylurea
PubChem CID108910178
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(2-phenylethyl)-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)NCCc1ccccc1
InChIInChI=1S/C12H16N2O/c1-10(2)14-12(15)13-9-8-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3,(H2,13,14,15)
InChIKeyOQCQAEYKXZOAQE-UHFFFAOYSA-N
XLogP2.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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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-(3-methylphenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910466
1-[2-(4-methoxyphenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910187
3-chloro-N-(2-phenylethylcarbamoyl)propanamide
CID 43146230
5-oxo-5-(2-phenylethylcarbamoylamino)pentanoic acid
CID 28931773
(2R)-3,3-dimethyl-2-(2-phenylethylcarbamoylamino)butanoic acid
CID 103927529
(2S)-2-hydroxy-2-phenyl-N-(2-phenylethyl)acetamide
CID 26793852
(2R)-4-methyl-2-(2-phenylethylcarbamoylamino)pentanoic acid
CID 78976234
2-phenylethylcarbamothioic S-acid
CID 11116669
molecular hydrogen;2-phenylethylcarbamic acid
CID 145072858
N-(2-phenylethyl)ethanethioamide
CID 58678856

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-3-prop-1-en-2-ylurea?
The IUPAC name of 1-(2-phenylethyl)-3-prop-1-en-2-ylurea (CID 108910178) is 1-(2-phenylethyl)-3-prop-1-en-2-ylurea.
What is the SMILES notation for 1-(2-phenylethyl)-3-prop-1-en-2-ylurea?
The canonical SMILES for 1-(2-phenylethyl)-3-prop-1-en-2-ylurea is C=C(C)NC(=O)NCCc1ccccc1.
What is the InChIKey of 1-(2-phenylethyl)-3-prop-1-en-2-ylurea?
The InChIKey is OQCQAEYKXZOAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10(2)14-12(15)13-9-8-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3,(H2,13,14,15).
What are the key properties of 1-(2-phenylethyl)-3-prop-1-en-2-ylurea?
1-(2-phenylethyl)-3-prop-1-en-2-ylurea has a molecular weight of 204.27 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-prop-1-en-2-ylurea is sourced from PubChem (CID 108910178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).