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

C12H16N2O — CID 108910190

IUPAC1-(1-phenylethyl)-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)NC(C)c1ccccc1
InChIInChI=1S/C12H16N2O/c1-9(2)13-12(15)14-10(3)11-7-5-4-6-8-11/h4-8,10H,1H2,2-3H3,(H2,13,14,15)
InChIKeyMNOBEEOTPCAIMF-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.58
Rot. Bonds3

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

1-(1-phenylethyl)-3-prop-1-en-2-ylurea (PubChem CID 108910190) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(1-phenylethyl)-3-prop-1-en-2-ylurea.

Molecular Properties

Compound Name1-(1-phenylethyl)-3-prop-1-en-2-ylurea
PubChem CID108910190
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(1-phenylethyl)-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)NC(C)c1ccccc1
InChIInChI=1S/C12H16N2O/c1-9(2)13-12(15)14-10(3)11-7-5-4-6-8-11/h4-8,10H,1H2,2-3H3,(H2,13,14,15)
InChIKeyMNOBEEOTPCAIMF-UHFFFAOYSA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N-(1-phenylethyl)prop-1-en-2-amine
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CID 38288341
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(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
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(3Z)-5-methyl-N-(1-phenylethyl)hexa-1,3,5-trien-2-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyl)-3-prop-1-en-2-ylurea?
The IUPAC name of 1-(1-phenylethyl)-3-prop-1-en-2-ylurea (CID 108910190) is 1-(1-phenylethyl)-3-prop-1-en-2-ylurea.
What is the SMILES notation for 1-(1-phenylethyl)-3-prop-1-en-2-ylurea?
The canonical SMILES for 1-(1-phenylethyl)-3-prop-1-en-2-ylurea is C=C(C)NC(=O)NC(C)c1ccccc1.
What is the InChIKey of 1-(1-phenylethyl)-3-prop-1-en-2-ylurea?
The InChIKey is MNOBEEOTPCAIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(2)13-12(15)14-10(3)11-7-5-4-6-8-11/h4-8,10H,1H2,2-3H3,(H2,13,14,15).
What are the key properties of 1-(1-phenylethyl)-3-prop-1-en-2-ylurea?
1-(1-phenylethyl)-3-prop-1-en-2-ylurea has a molecular weight of 204.27 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)-3-prop-1-en-2-ylurea is sourced from PubChem (CID 108910190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).