1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea

C19H22N2O — CID 113213875

IUPAC1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
SMILESCc1cc(C)cc(NC(=O)NCC2(c3ccccc3)CC2)c1
InChIInChI=1S/C19H22N2O/c1-14-10-15(2)12-17(11-14)21-18(22)20-13-19(8-9-19)16-6-4-3-5-7-16/h3-7,10-12H,8-9,13H2,1-2H3,(H2,20,21,22)
InChIKeyGAYPGWDLYDMKMM-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.16
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea

1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea (PubChem CID 113213875) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
PubChem CID113213875
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
SMILESCc1cc(C)cc(NC(=O)NCC2(c3ccccc3)CC2)c1
InChIInChI=1S/C19H22N2O/c1-14-10-15(2)12-17(11-14)21-18(22)20-13-19(8-9-19)16-6-4-3-5-7-16/h3-7,10-12H,8-9,13H2,1-2H3,(H2,20,21,22)
InChIKeyGAYPGWDLYDMKMM-UHFFFAOYSA-N
XLogP4.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea
CID 14977495
1-(4-bromophenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
CID 113214075
3,5-diacetamido-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 51111712
1-[3-(difluoromethoxy)phenyl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 47039477
1-(3,4-difluorophenyl)-3-[(1-phenylcyclobutyl)methyl]urea
CID 113215039
1-(3,5-dimethylphenyl)-3-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]urea
CID 121179309
1-(1-ethyl-6-oxo-3-pyridinyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 56818346
1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea
CID 47159768
1-(2,6-difluorophenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213951
ethyl 3-oxo-3-[(1-phenylcyclopropyl)methylamino]propanoate
CID 110474208
1-(2,6-dimethylphenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
CID 113214053
1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(4-propan-2-ylphenyl)urea
CID 113214060

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea (CID 113213875) is 1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea is Cc1cc(C)cc(NC(=O)NCC2(c3ccccc3)CC2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea?
The InChIKey is GAYPGWDLYDMKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-10-15(2)12-17(11-14)21-18(22)20-13-19(8-9-19)16-6-4-3-5-7-16/h3-7,10-12H,8-9,13H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea?
1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea has a molecular weight of 294.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea is sourced from PubChem (CID 113213875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).