1-(2,6-dimethylphenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea

C20H24N2O — CID 113214053

IUPAC1-(2,6-dimethylphenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
SMILESCc1ccc(C2(CNC(=O)Nc3c(C)cccc3C)CC2)cc1
InChIInChI=1S/C20H24N2O/c1-14-7-9-17(10-8-14)20(11-12-20)13-21-19(23)22-18-15(2)5-4-6-16(18)3/h4-10H,11-13H2,1-3H3,(H2,21,22,23)
InChIKeyQUNYGKGHOHRLIK-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.47
Rot. Bonds4

About 1-(2,6-dimethylphenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea

1-(2,6-dimethylphenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea (PubChem CID 113214053) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
PubChem CID113214053
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-(2,6-dimethylphenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
SMILESCc1ccc(C2(CNC(=O)Nc3c(C)cccc3C)CC2)cc1
InChIInChI=1S/C20H24N2O/c1-14-7-9-17(10-8-14)20(11-12-20)13-21-19(23)22-18-15(2)5-4-6-16(18)3/h4-10H,11-13H2,1-3H3,(H2,21,22,23)
InChIKeyQUNYGKGHOHRLIK-UHFFFAOYSA-N
XLogP4.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
CID 113214075
1-(2-methyl-6-propan-2-ylphenyl)-3-[(1-phenylcyclopentyl)methyl]urea
CID 14977537
1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(4-propan-2-ylphenyl)urea
CID 113214060
1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
CID 113214114
1-[4-(diethylamino)phenyl]-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
CID 113214100
1-butyl-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
CID 113213956
1-(2,6-difluorophenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213951
1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213875
1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-phenylcyclobutyl)methyl]urea
CID 56586698
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(4-methylphenyl)methyl]urea
CID 113214301
1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea
CID 75538687
1-benzyl-3-(2,6-dimethylphenyl)urea
CID 2823182

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea (CID 113214053) is 1-(2,6-dimethylphenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea is Cc1ccc(C2(CNC(=O)Nc3c(C)cccc3C)CC2)cc1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea?
The InChIKey is QUNYGKGHOHRLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-14-7-9-17(10-8-14)20(11-12-20)13-21-19(23)22-18-15(2)5-4-6-16(18)3/h4-10H,11-13H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(2,6-dimethylphenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea?
1-(2,6-dimethylphenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea has a molecular weight of 308.43 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 113214053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).