1-methyl-1-[2-(2-methylphenyl)ethyl]urea

C11H16N2O — CID 115168706

IUPAC1-methyl-1-[2-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1CCN(C)C(N)=O
InChIInChI=1S/C11H16N2O/c1-9-5-3-4-6-10(9)7-8-13(2)11(12)14/h3-6H,7-8H2,1-2H3,(H2,12,14)
InChIKeyPGQFQEVJJSNRTJ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.55
Rot. Bonds3

About 1-methyl-1-[2-(2-methylphenyl)ethyl]urea

1-methyl-1-[2-(2-methylphenyl)ethyl]urea (PubChem CID 115168706) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-methyl-1-[2-(2-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-1-[2-(2-methylphenyl)ethyl]urea
PubChem CID115168706
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-methyl-1-[2-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1CCN(C)C(N)=O
InChIInChI=1S/C11H16N2O/c1-9-5-3-4-6-10(9)7-8-13(2)11(12)14/h3-6H,7-8H2,1-2H3,(H2,12,14)
InChIKeyPGQFQEVJJSNRTJ-UHFFFAOYSA-N
XLogP1.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-N-[2-(2-methylphenyl)ethyl]-2-oxoacetamide
CID 115166755
1-methyl-1-[2-(2,3,4-trimethylphenyl)ethyl]urea
CID 115168718
3-amino-N,2,2-trimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 115154766
4-[methyl-[2-(2-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 94689747
3-amino-4-[methyl-[2-(2-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 115181352
4-(2-methylphenyl)butanamide
CID 22103596
1-(hydroxymethyl)-N-methyl-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115182456
1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea
CID 115168716
1-[2-(2,3-dimethoxyphenyl)ethyl]-1-methylurea
CID 3052715
1-[2-(3,4-dimethylphenyl)ethyl]-1-methylurea
CID 115168593
ethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate
CID 115257571
2-(2-methylphenyl)ethyl-propylcarbamic acid
CID 144705989

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[2-(2-methylphenyl)ethyl]urea?
The IUPAC name of 1-methyl-1-[2-(2-methylphenyl)ethyl]urea (CID 115168706) is 1-methyl-1-[2-(2-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-methyl-1-[2-(2-methylphenyl)ethyl]urea?
The canonical SMILES for 1-methyl-1-[2-(2-methylphenyl)ethyl]urea is Cc1ccccc1CCN(C)C(N)=O.
What is the InChIKey of 1-methyl-1-[2-(2-methylphenyl)ethyl]urea?
The InChIKey is PGQFQEVJJSNRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9-5-3-4-6-10(9)7-8-13(2)11(12)14/h3-6H,7-8H2,1-2H3,(H2,12,14).
What are the key properties of 1-methyl-1-[2-(2-methylphenyl)ethyl]urea?
1-methyl-1-[2-(2-methylphenyl)ethyl]urea has a molecular weight of 192.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[2-(2-methylphenyl)ethyl]urea is sourced from PubChem (CID 115168706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).