1-methyl-3-[2-(4-methylphenyl)ethyl]urea

C11H16N2O — CID 18334314

IUPAC1-methyl-3-[2-(4-methylphenyl)ethyl]urea
SMILESCNC(=O)NCCc1ccc(C)cc1
InChIInChI=1S/C11H16N2O/c1-9-3-5-10(6-4-9)7-8-13-11(14)12-2/h3-6H,7-8H2,1-2H3,(H2,12,13,14)
InChIKeyFSUIJLVOTOURDJ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.47
Rot. Bonds3

About 1-methyl-3-[2-(4-methylphenyl)ethyl]urea

1-methyl-3-[2-(4-methylphenyl)ethyl]urea (PubChem CID 18334314) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-methyl-3-[2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-(4-methylphenyl)ethyl]urea
PubChem CID18334314
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-methyl-3-[2-(4-methylphenyl)ethyl]urea
SMILESCNC(=O)NCCc1ccc(C)cc1
InChIInChI=1S/C11H16N2O/c1-9-3-5-10(6-4-9)7-8-13-11(14)12-2/h3-6H,7-8H2,1-2H3,(H2,12,13,14)
InChIKeyFSUIJLVOTOURDJ-UHFFFAOYSA-N
XLogP1.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-[2-(4-methylsulfanylphenyl)ethyl]urea
CID 115169381
1-[2-(4-methylphenyl)ethyl]-3-[(E)-prop-1-enyl]urea
CID 108909730
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
1-[2-(4-ethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 3855520
1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891247
1-(3-methoxypropyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 108891008
1-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylurea
CID 115169314
ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen
CID 142068448
N-[2-(4-methylphenyl)ethyl]-3-oxobutanamide
CID 115176502
1-(3,5-dihydroxyphenyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 108895647
ethyl N-[2-(4-methylphenyl)ethyl]carbamate
CID 22253656
1-benzhydryl-3-[2-(4-methylphenyl)ethyl]urea
CID 108867607

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-methyl-3-[2-(4-methylphenyl)ethyl]urea (CID 18334314) is 1-methyl-3-[2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-methyl-3-[2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-methyl-3-[2-(4-methylphenyl)ethyl]urea is CNC(=O)NCCc1ccc(C)cc1.
What is the InChIKey of 1-methyl-3-[2-(4-methylphenyl)ethyl]urea?
The InChIKey is FSUIJLVOTOURDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9-3-5-10(6-4-9)7-8-13-11(14)12-2/h3-6H,7-8H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-methyl-3-[2-(4-methylphenyl)ethyl]urea?
1-methyl-3-[2-(4-methylphenyl)ethyl]urea has a molecular weight of 192.26 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 18334314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).