1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea

C18H20N2O — CID 110469284

IUPAC1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea
SMILESCc1cccc(C)c1NC(=O)NC1(c2ccccc2)CC1
InChIInChI=1S/C18H20N2O/c1-13-7-6-8-14(2)16(13)19-17(21)20-18(11-12-18)15-9-4-3-5-10-15/h3-10H,11-12H2,1-2H3,(H2,19,20,21)
InChIKeyGWNAMXBPKJSOOS-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.11
Rot. Bonds3

About 1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea

1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea (PubChem CID 110469284) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea
PubChem CID110469284
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea
SMILESCc1cccc(C)c1NC(=O)NC1(c2ccccc2)CC1
InChIInChI=1S/C18H20N2O/c1-13-7-6-8-14(2)16(13)19-17(21)20-18(11-12-18)15-9-4-3-5-10-15/h3-10H,11-12H2,1-2H3,(H2,19,20,21)
InChIKeyGWNAMXBPKJSOOS-UHFFFAOYSA-N
XLogP4.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methyl-6-propan-2-ylphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215098
4-[(2,6-dimethylphenyl)carbamoylamino]oxane-4-carboxylic acid
CID 115292812
1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215273
1-[1-(4-chlorophenyl)cyclopropyl]-3-(2-methylphenyl)urea
CID 113215464
1-(4-hydroxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 110469255
1-(4-tert-butylphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215100
1-(3-methoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215113
1-benzyl-3-(2,6-dimethylphenyl)urea
CID 2823182
N,N'-bis(1-phenylcyclopropyl)propanediamide
CID 166301287
1,1-dimethyl-3-(1-phenylcyclopropyl)urea
CID 11217964
N-(1-phenylcyclopropyl)propanamide
CID 110441332
1-(3-methyl-1-benzofuran-5-yl)-3-(1-phenylcyclopropyl)urea
CID 139008434

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea (CID 110469284) is 1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea is Cc1cccc(C)c1NC(=O)NC1(c2ccccc2)CC1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea?
The InChIKey is GWNAMXBPKJSOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-7-6-8-14(2)16(13)19-17(21)20-18(11-12-18)15-9-4-3-5-10-15/h3-10H,11-12H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea?
1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea has a molecular weight of 280.37 g/mol, XLogP of 4.11, 3 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-phenylcyclopropyl)urea is sourced from PubChem (CID 110469284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).