1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea

C17H20N2O2 — CID 99129467

IUPAC1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C17H20N2O2/c1-12(2)15-9-4-5-10-16(15)19-17(20)18-13-7-6-8-14(11-13)21-3/h4-12H,1-3H3,(H2,18,19,20)
InChIKeyTZEYLMYKNDPQOR-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.46
Rot. Bonds4

About 1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea

1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea (PubChem CID 99129467) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea
PubChem CID99129467
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C17H20N2O2/c1-12(2)15-9-4-5-10-16(15)19-17(20)18-13-7-6-8-14(11-13)21-3/h4-12H,1-3H3,(H2,18,19,20)
InChIKeyTZEYLMYKNDPQOR-UHFFFAOYSA-N
XLogP4.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1-aminoethyl)phenyl]-3-(3-methoxyphenyl)urea
CID 61310773
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CID 100745717
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylphenyl)propanamide
CID 55424043
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538998
2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804
2-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide
CID 43146331
1-(2-bromo-3-chlorophenyl)-3-(3-methoxyphenyl)urea
CID 103480109
1-(2-propan-2-ylphenyl)-3-(3,4,5-trihydroxyphenyl)urea
CID 108871682
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)urea
CID 6469067
1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 69014425

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea (CID 99129467) is 1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea is COc1cccc(NC(=O)Nc2ccccc2C(C)C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea?
The InChIKey is TZEYLMYKNDPQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(2)15-9-4-5-10-16(15)19-17(20)18-13-7-6-8-14(11-13)21-3/h4-12H,1-3H3,(H2,18,19,20).
What are the key properties of 1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea?
1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea has a molecular weight of 284.36 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea is sourced from PubChem (CID 99129467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).