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

C19H22N2O — CID 113215273

IUPAC1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
SMILESCc1ccc(C2(NC(=O)Nc3cccc(C)c3C)CC2)cc1
InChIInChI=1S/C19H22N2O/c1-13-7-9-16(10-8-13)19(11-12-19)21-18(22)20-17-6-4-5-14(2)15(17)3/h4-10H,11-12H2,1-3H3,(H2,20,21,22)
InChIKeyLWVJXAXWWRZUCK-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.42
Rot. Bonds3

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

1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea (PubChem CID 113215273) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
PubChem CID113215273
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
SMILESCc1ccc(C2(NC(=O)Nc3cccc(C)c3C)CC2)cc1
InChIInChI=1S/C19H22N2O/c1-13-7-9-16(10-8-13)19(11-12-19)21-18(22)20-17-6-4-5-14(2)15(17)3/h4-10H,11-12H2,1-3H3,(H2,20,21,22)
InChIKeyLWVJXAXWWRZUCK-UHFFFAOYSA-N
XLogP4.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(4-chlorophenyl)cyclopropyl]-3-(2-methylphenyl)urea
CID 113215464
1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 17263304
1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea
CID 110469284
N,N,2-trimethyl-3-[[1-(3-methylphenyl)cyclopropyl]carbamoylamino]benzamide
CID 118773363
1-(2,3-dimethylphenyl)-3-(3,5-dimethylphenyl)urea
CID 17279836
1-N'-(2,3-dimethylphenyl)-1-N-[(4-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975263
1-(2-bromo-4-methylphenyl)-3-[1-(4-chlorophenyl)cyclopropyl]urea
CID 113215529
1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)propan-2-yl]urea
CID 70615302
1-N'-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980646
3-[(2,3-dimethylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 113416485
(2S,3S)-N-(2,3-dimethylphenyl)-2-hydroxy-3-(4-methylphenyl)butanamide
CID 97250492
1-(2,3-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881295

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea (CID 113215273) is 1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea is Cc1ccc(C2(NC(=O)Nc3cccc(C)c3C)CC2)cc1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea?
The InChIKey is LWVJXAXWWRZUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-13-7-9-16(10-8-13)19(11-12-19)21-18(22)20-17-6-4-5-14(2)15(17)3/h4-10H,11-12H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea?
1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea has a molecular weight of 294.40 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea is sourced from PubChem (CID 113215273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).