1-(2-butan-2-ylphenyl)-3-[(4-methylphenyl)methyl]urea

C19H24N2O — CID 108899158

IUPAC1-(2-butan-2-ylphenyl)-3-[(4-methylphenyl)methyl]urea
SMILESCCC(C)c1ccccc1NC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C19H24N2O/c1-4-15(3)17-7-5-6-8-18(17)21-19(22)20-13-16-11-9-14(2)10-12-16/h5-12,15H,4,13H2,1-3H3,(H2,20,21,22)
InChIKeyKRJSCQMKYFXPDT-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.83
Rot. Bonds5

About 1-(2-butan-2-ylphenyl)-3-[(4-methylphenyl)methyl]urea

1-(2-butan-2-ylphenyl)-3-[(4-methylphenyl)methyl]urea (PubChem CID 108899158) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(2-butan-2-ylphenyl)-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-butan-2-ylphenyl)-3-[(4-methylphenyl)methyl]urea
PubChem CID108899158
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-(2-butan-2-ylphenyl)-3-[(4-methylphenyl)methyl]urea
SMILESCCC(C)c1ccccc1NC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C19H24N2O/c1-4-15(3)17-7-5-6-8-18(17)21-19(22)20-13-16-11-9-14(2)10-12-16/h5-12,15H,4,13H2,1-3H3,(H2,20,21,22)
InChIKeyKRJSCQMKYFXPDT-UHFFFAOYSA-N
XLogP4.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-butan-2-ylphenyl)-3-[(4-fluorophenyl)methyl]urea
CID 108867733
1-(2-butan-2-ylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874721
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-methyl-2-[2-[(4-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 47033746
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
1-(2-butan-2-ylphenyl)-3-(3-methylphenyl)urea
CID 108888011
1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 17263304
1-[(4-methylphenyl)methyl]-3-(2-sulfamoylphenyl)urea
CID 20694113
1-(2-butan-2-ylphenyl)-3-prop-1-en-2-ylurea
CID 108910430
1-(2-butan-2-ylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea
CID 108900398
N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide
CID 55110758

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-ylphenyl)-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-(2-butan-2-ylphenyl)-3-[(4-methylphenyl)methyl]urea (CID 108899158) is 1-(2-butan-2-ylphenyl)-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(2-butan-2-ylphenyl)-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-(2-butan-2-ylphenyl)-3-[(4-methylphenyl)methyl]urea is CCC(C)c1ccccc1NC(=O)NCc1ccc(C)cc1.
What is the InChIKey of 1-(2-butan-2-ylphenyl)-3-[(4-methylphenyl)methyl]urea?
The InChIKey is KRJSCQMKYFXPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-4-15(3)17-7-5-6-8-18(17)21-19(22)20-13-16-11-9-14(2)10-12-16/h5-12,15H,4,13H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(2-butan-2-ylphenyl)-3-[(4-methylphenyl)methyl]urea?
1-(2-butan-2-ylphenyl)-3-[(4-methylphenyl)methyl]urea has a molecular weight of 296.41 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-ylphenyl)-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 108899158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).