1-[4-methyl-3-(2-oxobutyl)phenyl]-3-(4-methylphenyl)urea;molecular hydrogen

C19H26N2O2 — CID 155694055

IUPAC1-[4-methyl-3-(2-oxobutyl)phenyl]-3-(4-methylphenyl)urea;molecular hydrogen
SMILESCCC(=O)Cc1cc(NC(=O)Nc2ccc(C)cc2)ccc1C.[H][H].[H][H]
InChIInChI=1S/C19H22N2O2.2H2/c1-4-18(22)12-15-11-17(10-7-14(15)3)21-19(23)20-16-8-5-13(2)6-9-16;;/h5-11H,4,12H2,1-3H3,(H2,20,21,23);2*1H
InChIKeyLUYJVQZTCWUMGU-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.96
Rot. Bonds5

About 1-[4-methyl-3-(2-oxobutyl)phenyl]-3-(4-methylphenyl)urea;molecular hydrogen

1-[4-methyl-3-(2-oxobutyl)phenyl]-3-(4-methylphenyl)urea;molecular hydrogen (PubChem CID 155694055) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[4-methyl-3-(2-oxobutyl)phenyl]-3-(4-methylphenyl)urea;molecular hydrogen.

Molecular Properties

Compound Name1-[4-methyl-3-(2-oxobutyl)phenyl]-3-(4-methylphenyl)urea;molecular hydrogen
PubChem CID155694055
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-[4-methyl-3-(2-oxobutyl)phenyl]-3-(4-methylphenyl)urea;molecular hydrogen
SMILESCCC(=O)Cc1cc(NC(=O)Nc2ccc(C)cc2)ccc1C.[H][H].[H][H]
InChIInChI=1S/C19H22N2O2.2H2/c1-4-18(22)12-15-11-17(10-7-14(15)3)21-19(23)20-16-8-5-13(2)6-9-16;;/h5-11H,4,12H2,1-3H3,(H2,20,21,23);2*1H
InChIKeyLUYJVQZTCWUMGU-UHFFFAOYSA-N
XLogP4.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methylphenyl)-3-(4-methylphenyl)urea
CID 60728805
1-methyl-3-(4-methylphenyl)urea;molecular hydrogen
CID 142308386
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-butyl-3-(3-ethyl-4-methylphenyl)urea
CID 113356321
1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea
CID 43245991
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-[4-[[bis[[4-[(4-methylphenyl)carbamoylamino]phenyl]methyl]amino]methyl]phenyl]-3-(4-methylphenyl)urea
CID 72544901
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea
CID 64794146
N-but-1-en-2-yl-3-ethyl-4-methylaniline
CID 155049153
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
2-bromo-5-[(4-methylphenyl)carbamoylamino]benzoic acid
CID 115295945

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-3-(2-oxobutyl)phenyl]-3-(4-methylphenyl)urea;molecular hydrogen?
The IUPAC name of 1-[4-methyl-3-(2-oxobutyl)phenyl]-3-(4-methylphenyl)urea;molecular hydrogen (CID 155694055) is 1-[4-methyl-3-(2-oxobutyl)phenyl]-3-(4-methylphenyl)urea;molecular hydrogen.
What is the SMILES notation for 1-[4-methyl-3-(2-oxobutyl)phenyl]-3-(4-methylphenyl)urea;molecular hydrogen?
The canonical SMILES for 1-[4-methyl-3-(2-oxobutyl)phenyl]-3-(4-methylphenyl)urea;molecular hydrogen is CCC(=O)Cc1cc(NC(=O)Nc2ccc(C)cc2)ccc1C.[H][H].[H][H].
What is the InChIKey of 1-[4-methyl-3-(2-oxobutyl)phenyl]-3-(4-methylphenyl)urea;molecular hydrogen?
The InChIKey is LUYJVQZTCWUMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.2H2/c1-4-18(22)12-15-11-17(10-7-14(15)3)21-19(23)20-16-8-5-13(2)6-9-16;;/h5-11H,4,12H2,1-3H3,(H2,20,21,23);2*1H.
What are the key properties of 1-[4-methyl-3-(2-oxobutyl)phenyl]-3-(4-methylphenyl)urea;molecular hydrogen?
1-[4-methyl-3-(2-oxobutyl)phenyl]-3-(4-methylphenyl)urea;molecular hydrogen has a molecular weight of 314.43 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-3-(2-oxobutyl)phenyl]-3-(4-methylphenyl)urea;molecular hydrogen is sourced from PubChem (CID 155694055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).