1-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methyl-6-propan-2-ylphenyl)urea

C20H26N2O2 — CID 86987050

IUPAC1-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methyl-6-propan-2-ylphenyl)urea
SMILESCOc1ccc(CN(C)C(=O)Nc2c(C)cccc2C(C)C)cc1
InChIInChI=1S/C20H26N2O2/c1-14(2)18-8-6-7-15(3)19(18)21-20(23)22(4)13-16-9-11-17(24-5)12-10-16/h6-12,14H,13H2,1-5H3,(H,21,23)
InChIKeyTZRRPMOUNJLYCZ-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.79
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methyl-6-propan-2-ylphenyl)urea

1-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methyl-6-propan-2-ylphenyl)urea (PubChem CID 86987050) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methyl-6-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methyl-6-propan-2-ylphenyl)urea
PubChem CID86987050
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methyl-6-propan-2-ylphenyl)urea
SMILESCOc1ccc(CN(C)C(=O)Nc2c(C)cccc2C(C)C)cc1
InChIInChI=1S/C20H26N2O2/c1-14(2)18-8-6-7-15(3)19(18)21-20(23)22(4)13-16-9-11-17(24-5)12-10-16/h6-12,14H,13H2,1-5H3,(H,21,23)
InChIKeyTZRRPMOUNJLYCZ-UHFFFAOYSA-N
XLogP4.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 55696677
2-[methyl-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]amino]acetic acid
CID 43135784
2-(4-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7688543
4-[(4-methoxyphenyl)methyl]-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113108147
1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977765
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9024007
2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138011
1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 75691217
1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
CID 115575178
2-(4-ethoxyphenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 51536149
1-[(4-methoxyphenyl)methyl]-3-(2-methyl-6-propan-2-ylphenyl)-1-(2-morpholin-4-ylethyl)thiourea
CID 5067583
[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylazanium
CID 8793608

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methyl-6-propan-2-ylphenyl)urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methyl-6-propan-2-ylphenyl)urea (CID 86987050) is 1-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methyl-6-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methyl-6-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methyl-6-propan-2-ylphenyl)urea is COc1ccc(CN(C)C(=O)Nc2c(C)cccc2C(C)C)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methyl-6-propan-2-ylphenyl)urea?
The InChIKey is TZRRPMOUNJLYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14(2)18-8-6-7-15(3)19(18)21-20(23)22(4)13-16-9-11-17(24-5)12-10-16/h6-12,14H,13H2,1-5H3,(H,21,23).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methyl-6-propan-2-ylphenyl)urea?
1-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methyl-6-propan-2-ylphenyl)urea has a molecular weight of 326.44 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methyl-6-propan-2-ylphenyl)urea is sourced from PubChem (CID 86987050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).