1-(3-acetylphenyl)-3-(2,4,6-trimethylphenyl)urea

C18H20N2O2 — CID 108991665

IUPAC1-(3-acetylphenyl)-3-(2,4,6-trimethylphenyl)urea
SMILESCC(=O)c1cccc(NC(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C18H20N2O2/c1-11-8-12(2)17(13(3)9-11)20-18(22)19-16-7-5-6-15(10-16)14(4)21/h5-10H,1-4H3,(H2,19,20,22)
InChIKeyDPQQDIBKRKVDEG-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.46
Rot. Bonds3

About 1-(3-acetylphenyl)-3-(2,4,6-trimethylphenyl)urea

1-(3-acetylphenyl)-3-(2,4,6-trimethylphenyl)urea (PubChem CID 108991665) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-(2,4,6-trimethylphenyl)urea
PubChem CID108991665
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-(3-acetylphenyl)-3-(2,4,6-trimethylphenyl)urea
SMILESCC(=O)c1cccc(NC(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C18H20N2O2/c1-11-8-12(2)17(13(3)9-11)20-18(22)19-16-7-5-6-15(10-16)14(4)21/h5-10H,1-4H3,(H2,19,20,22)
InChIKeyDPQQDIBKRKVDEG-UHFFFAOYSA-N
XLogP4.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-acetylphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]urea
CID 2958009
1-(2-chloro-4,6-dimethylphenyl)-3-(3-methylphenyl)urea
CID 108888004
N-(3-acetylphenyl)-3,5-dimethylbenzamide
CID 969392
5-(3-acetylanilino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109198731
1-(3-acetylphenyl)-3-(4-chloro-2-methylphenyl)urea
CID 61346467
1-(2-chloro-4,6-dimethylphenyl)-3-(3-hydroxyphenyl)urea
CID 108895874
1-(3-acetylphenyl)-3-(2-bromo-6-fluorophenyl)urea
CID 107602984
1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]urea
CID 45153652
N-(3-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
CID 109038923
1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea
CID 731680
1-(3-acetylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)urea
CID 79357454
1-(3-acetylphenyl)-3-(2-sulfanylphenyl)urea
CID 108886351

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-(3-acetylphenyl)-3-(2,4,6-trimethylphenyl)urea (CID 108991665) is 1-(3-acetylphenyl)-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-(2,4,6-trimethylphenyl)urea is CC(=O)c1cccc(NC(=O)Nc2c(C)cc(C)cc2C)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is DPQQDIBKRKVDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-11-8-12(2)17(13(3)9-11)20-18(22)19-16-7-5-6-15(10-16)14(4)21/h5-10H,1-4H3,(H2,19,20,22).
What are the key properties of 1-(3-acetylphenyl)-3-(2,4,6-trimethylphenyl)urea?
1-(3-acetylphenyl)-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 296.37 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 108991665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).