3-carbamoyl-1-methyl-1-(2-phenylethyl)urea

C11H15N3O2 — CID 23220

IUPAC3-carbamoyl-1-methyl-1-(2-phenylethyl)urea
SMILESCN(CCc1ccccc1)C(=O)NC(N)=O
InChIInChI=1S/C11H15N3O2/c1-14(11(16)13-10(12)15)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H3,12,13,15,16)
InChIKeyBJMYAMSLFPKKNG-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.95
Rot. Bonds3

About 3-carbamoyl-1-methyl-1-(2-phenylethyl)urea

3-carbamoyl-1-methyl-1-(2-phenylethyl)urea (PubChem CID 23220) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-carbamoyl-1-methyl-1-(2-phenylethyl)urea.

Molecular Properties

Compound Name3-carbamoyl-1-methyl-1-(2-phenylethyl)urea
PubChem CID23220
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-carbamoyl-1-methyl-1-(2-phenylethyl)urea
SMILESCN(CCc1ccccc1)C(=O)NC(N)=O
InChIInChI=1S/C11H15N3O2/c1-14(11(16)13-10(12)15)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H3,12,13,15,16)
InChIKeyBJMYAMSLFPKKNG-UHFFFAOYSA-N
XLogP0.95
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-1-(2-phenylethyl)-3-prop-2-enylurea
CID 71940977
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-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea
CID 47258233
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
(2R)-2-amino-N-methyl-N-(2-phenylethyl)propanamide
CID 78973247
4-[methyl(2-phenylethyl)amino]-2,4-dioxobutanoic acid
CID 142214555
3-(3,5-dichlorophenyl)-1-methyl-1-(2-phenylethyl)urea
CID 3596842
N,2-dimethyl-N-(2-phenylethyl)propanamide
CID 22954091
1-methyl-1-(2-phenylethyl)-3-[1-(thiadiazol-4-yl)ethyl]urea
CID 166237150
N,2-dimethyl-2-(methylamino)-N-(2-phenylethyl)propanamide
CID 62846352
3-amino-N,2,2-trimethyl-N-(2-phenylethyl)-3-sulfanylidenepropanamide
CID 65487462

Frequently Asked Questions

What is the IUPAC name of 3-carbamoyl-1-methyl-1-(2-phenylethyl)urea?
The IUPAC name of 3-carbamoyl-1-methyl-1-(2-phenylethyl)urea (CID 23220) is 3-carbamoyl-1-methyl-1-(2-phenylethyl)urea.
What is the SMILES notation for 3-carbamoyl-1-methyl-1-(2-phenylethyl)urea?
The canonical SMILES for 3-carbamoyl-1-methyl-1-(2-phenylethyl)urea is CN(CCc1ccccc1)C(=O)NC(N)=O.
What is the InChIKey of 3-carbamoyl-1-methyl-1-(2-phenylethyl)urea?
The InChIKey is BJMYAMSLFPKKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-14(11(16)13-10(12)15)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H3,12,13,15,16).
What are the key properties of 3-carbamoyl-1-methyl-1-(2-phenylethyl)urea?
3-carbamoyl-1-methyl-1-(2-phenylethyl)urea has a molecular weight of 221.26 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyl-1-methyl-1-(2-phenylethyl)urea is sourced from PubChem (CID 23220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).