1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea

C19H24N2O3 — CID 108866246

IUPAC1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(C(C)(C)C)cc2)cc1OC
InChIInChI=1S/C19H24N2O3/c1-19(2,3)13-6-8-14(9-7-13)20-18(22)21-15-10-11-16(23-4)17(12-15)24-5/h6-12H,1-5H3,(H2,20,21,22)
InChIKeyPDRZSLXOBDSWCQ-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.65
Rot. Bonds4

About 1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea

1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea (PubChem CID 108866246) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea
PubChem CID108866246
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(C(C)(C)C)cc2)cc1OC
InChIInChI=1S/C19H24N2O3/c1-19(2,3)13-6-8-14(9-7-13)20-18(22)21-15-10-11-16(23-4)17(12-15)24-5/h6-12H,1-5H3,(H2,20,21,22)
InChIKeyPDRZSLXOBDSWCQ-UHFFFAOYSA-N
XLogP4.65
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
CID 113213805
4-tert-butyl-N-[(3,4-dimethoxyphenyl)carbamothioyl]benzamide
CID 54781593
1-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)urea
CID 23764462
1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4995213
N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 7741769
3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19221168
1-(4-tert-butylphenyl)-3-methoxyurea
CID 154930476
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 4-tert-butylbenzoate
CID 7814936
N-(4-acetamidophenyl)-N'-(3,4-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969664
(E)-N-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 7914176
(3,4-dimethoxyphenyl)urea
CID 21197430

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea (CID 108866246) is 1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc(C(C)(C)C)cc2)cc1OC.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea?
The InChIKey is PDRZSLXOBDSWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-19(2,3)13-6-8-14(9-7-13)20-18(22)21-15-10-11-16(23-4)17(12-15)24-5/h6-12H,1-5H3,(H2,20,21,22).
What are the key properties of 1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea?
1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea has a molecular weight of 328.41 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea is sourced from PubChem (CID 108866246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).