1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea

C18H22N2O2 — CID 108901898

IUPAC1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H22N2O2/c1-13-4-9-17(14(2)12-13)20-18(21)19-11-10-15-5-7-16(22-3)8-6-15/h4-9,12H,10-11H2,1-3H3,(H2,19,20,21)
InChIKeyMPFVJBULQYUCRG-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.68
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea

1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea (PubChem CID 108901898) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
PubChem CID108901898
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H22N2O2/c1-13-4-9-17(14(2)12-13)20-18(21)19-11-10-15-5-7-16(22-3)8-6-15/h4-9,12H,10-11H2,1-3H3,(H2,19,20,21)
InChIKeyMPFVJBULQYUCRG-UHFFFAOYSA-N
XLogP3.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 727799
N-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylaniline
CID 23991308
1-(2,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 5054028
1-(2,4-dimethylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea
CID 3766021
1-(2,4-dimethylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972093
1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970080
1-(2-methoxy-4-methylphenyl)-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea
CID 86875415
3-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18129621
N-(2,4-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372182
1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108990551
1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 3548825
1-(2-hydroxy-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868237

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea (CID 108901898) is 1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is MPFVJBULQYUCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-4-9-17(14(2)12-13)20-18(21)19-11-10-15-5-7-16(22-3)8-6-15/h4-9,12H,10-11H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 298.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 108901898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).