1-[(3,5-dimethylphenyl)methyl]-3-(4-ethylphenyl)urea

C18H22N2O — CID 3777161

IUPAC1-[(3,5-dimethylphenyl)methyl]-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)NCc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C18H22N2O/c1-4-15-5-7-17(8-6-15)20-18(21)19-12-16-10-13(2)9-14(3)11-16/h5-11H,4,12H2,1-3H3,(H2,19,20,21)
InChIKeyYASCJXOYMRYOSB-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.19
Rot. Bonds4

About 1-[(3,5-dimethylphenyl)methyl]-3-(4-ethylphenyl)urea

1-[(3,5-dimethylphenyl)methyl]-3-(4-ethylphenyl)urea (PubChem CID 3777161) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methyl]-3-(4-ethylphenyl)urea.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methyl]-3-(4-ethylphenyl)urea
PubChem CID3777161
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[(3,5-dimethylphenyl)methyl]-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)NCc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C18H22N2O/c1-4-15-5-7-17(8-6-15)20-18(21)19-12-16-10-13(2)9-14(3)11-16/h5-11H,4,12H2,1-3H3,(H2,19,20,21)
InChIKeyYASCJXOYMRYOSB-UHFFFAOYSA-N
XLogP4.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-3-(4-ethylphenyl)urea
CID 20721116
1-N'-(3,5-dimethylphenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981461
N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898073
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
methyl 4-[(4-methylphenyl)methylcarbamoylamino]benzoate
CID 108899109
1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108899132
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3,5-dimethylphenyl)methyl]urea
CID 3868756
1-(4-ethylphenyl)-3-methylurea
CID 54250791
1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47159445
3-[(4-ethylphenyl)carbamoylamino]propanoic acid
CID 28510852
ethane;1-(4-ethylphenyl)-3-methylurea
CID 143679761
1-[(2,4-dimethylphenoxy)methyl]-3-(4-ethylphenyl)urea
CID 108870703

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-3-(4-ethylphenyl)urea?
The IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-3-(4-ethylphenyl)urea (CID 3777161) is 1-[(3,5-dimethylphenyl)methyl]-3-(4-ethylphenyl)urea.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methyl]-3-(4-ethylphenyl)urea?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methyl]-3-(4-ethylphenyl)urea is CCc1ccc(NC(=O)NCc2cc(C)cc(C)c2)cc1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methyl]-3-(4-ethylphenyl)urea?
The InChIKey is YASCJXOYMRYOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-15-5-7-17(8-6-15)20-18(21)19-12-16-10-13(2)9-14(3)11-16/h5-11H,4,12H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-[(3,5-dimethylphenyl)methyl]-3-(4-ethylphenyl)urea?
1-[(3,5-dimethylphenyl)methyl]-3-(4-ethylphenyl)urea has a molecular weight of 282.39 g/mol, XLogP of 4.19, 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)methyl]-3-(4-ethylphenyl)urea is sourced from PubChem (CID 3777161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).