1-methyl-1-(2-phenylethyl)-3-prop-2-enylurea

C13H18N2O — CID 71940977

IUPAC1-methyl-1-(2-phenylethyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)N(C)CCc1ccccc1
InChIInChI=1S/C13H18N2O/c1-3-10-14-13(16)15(2)11-9-12-7-5-4-6-8-12/h3-8H,1,9-11H2,2H3,(H,14,16)
InChIKeySTDMWHXTEMVKFP-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.06
Rot. Bonds5

About 1-methyl-1-(2-phenylethyl)-3-prop-2-enylurea

1-methyl-1-(2-phenylethyl)-3-prop-2-enylurea (PubChem CID 71940977) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-methyl-1-(2-phenylethyl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-methyl-1-(2-phenylethyl)-3-prop-2-enylurea
PubChem CID71940977
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-methyl-1-(2-phenylethyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)N(C)CCc1ccccc1
InChIInChI=1S/C13H18N2O/c1-3-10-14-13(16)15(2)11-9-12-7-5-4-6-8-12/h3-8H,1,9-11H2,2H3,(H,14,16)
InChIKeySTDMWHXTEMVKFP-UHFFFAOYSA-N
XLogP2.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-methyl-1-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115583935
2-hydroxy-3-[[methyl(2-phenylethyl)carbamoyl]amino]propanoic acid
CID 66166586
3-carbamoyl-1-methyl-1-(2-phenylethyl)urea
CID 23220
N'-benzyl-N'-methyl-N-prop-2-enyloxamide
CID 108518780
1-ethyl-1-methyl-3-prop-2-enylurea
CID 115603850
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
CID 44533095
3-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea
CID 47258233
N-(2-phenylethyl)-N'-prop-2-enyloxamide
CID 2058117
2-[benzyl(methyl)amino]-N-prop-2-enylacetamide
CID 51072751
N'-methyl-N-prop-2-enyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108983935
3-(3-cyclopentylpropyl)-1-methyl-1-(2-phenylethyl)urea
CID 87007292

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-phenylethyl)-3-prop-2-enylurea?
The IUPAC name of 1-methyl-1-(2-phenylethyl)-3-prop-2-enylurea (CID 71940977) is 1-methyl-1-(2-phenylethyl)-3-prop-2-enylurea.
What is the SMILES notation for 1-methyl-1-(2-phenylethyl)-3-prop-2-enylurea?
The canonical SMILES for 1-methyl-1-(2-phenylethyl)-3-prop-2-enylurea is C=CCNC(=O)N(C)CCc1ccccc1.
What is the InChIKey of 1-methyl-1-(2-phenylethyl)-3-prop-2-enylurea?
The InChIKey is STDMWHXTEMVKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-10-14-13(16)15(2)11-9-12-7-5-4-6-8-12/h3-8H,1,9-11H2,2H3,(H,14,16).
What are the key properties of 1-methyl-1-(2-phenylethyl)-3-prop-2-enylurea?
1-methyl-1-(2-phenylethyl)-3-prop-2-enylurea has a molecular weight of 218.30 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-phenylethyl)-3-prop-2-enylurea is sourced from PubChem (CID 71940977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).