1-(2-tert-butylphenyl)-3-(2-methoxy-5-methylphenyl)urea

C19H24N2O2 — CID 108991730

IUPAC1-(2-tert-butylphenyl)-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C19H24N2O2/c1-13-10-11-17(23-5)16(12-13)21-18(22)20-15-9-7-6-8-14(15)19(2,3)4/h6-12H,1-5H3,(H2,20,21,22)
InChIKeyHYOLHPYECMXUFX-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.95
Rot. Bonds3

About 1-(2-tert-butylphenyl)-3-(2-methoxy-5-methylphenyl)urea

1-(2-tert-butylphenyl)-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 108991730) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-3-(2-methoxy-5-methylphenyl)urea
PubChem CID108991730
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(2-tert-butylphenyl)-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C19H24N2O2/c1-13-10-11-17(23-5)16(12-13)21-18(22)20-15-9-7-6-8-14(15)19(2,3)4/h6-12H,1-5H3,(H2,20,21,22)
InChIKeyHYOLHPYECMXUFX-UHFFFAOYSA-N
XLogP4.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea
CID 841120
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9286477
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 86609606
1-(2-amino-5-methylphenyl)-3-(2-methoxyphenyl)urea
CID 108866574
1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892166
1-(3,3-dimethylbutan-2-yl)-3-(2-methoxy-5-methylphenyl)urea
CID 3855926
N-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)benzamide
CID 7778212
ethane;(2-methoxy-5-methylphenyl)urea
CID 142042876
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
CID 61149030
1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970798

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1-(2-tert-butylphenyl)-3-(2-methoxy-5-methylphenyl)urea (CID 108991730) is 1-(2-tert-butylphenyl)-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-(2-tert-butylphenyl)-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1-(2-tert-butylphenyl)-3-(2-methoxy-5-methylphenyl)urea is COc1ccc(C)cc1NC(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylphenyl)-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is HYOLHPYECMXUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-10-11-17(23-5)16(12-13)21-18(22)20-15-9-7-6-8-14(15)19(2,3)4/h6-12H,1-5H3,(H2,20,21,22).
What are the key properties of 1-(2-tert-butylphenyl)-3-(2-methoxy-5-methylphenyl)urea?
1-(2-tert-butylphenyl)-3-(2-methoxy-5-methylphenyl)urea has a molecular weight of 312.41 g/mol, XLogP of 4.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-3-(2-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 108991730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).