1-(2,6-diethylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea

C21H26N2O2 — CID 108874505

IUPAC1-(2,6-diethylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
SMILESCCc1cccc(CC)c1NC(=O)NCCC(=O)c1ccc(C)cc1
InChIInChI=1S/C21H26N2O2/c1-4-16-7-6-8-17(5-2)20(16)23-21(25)22-14-13-19(24)18-11-9-15(3)10-12-18/h6-12H,4-5,13-14H2,1-3H3,(H2,22,23,25)
InChIKeyFGCHEWNOZXIPNV-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.51
Rot. Bonds7

About 1-(2,6-diethylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea

1-(2,6-diethylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea (PubChem CID 108874505) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
PubChem CID108874505
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-(2,6-diethylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
SMILESCCc1cccc(CC)c1NC(=O)NCCC(=O)c1ccc(C)cc1
InChIInChI=1S/C21H26N2O2/c1-4-16-7-6-8-17(5-2)20(16)23-21(25)22-14-13-19(24)18-11-9-15(3)10-12-18/h6-12H,4-5,13-14H2,1-3H3,(H2,22,23,25)
InChIKeyFGCHEWNOZXIPNV-UHFFFAOYSA-N
XLogP4.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxyphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874418
1-[3-(4-methylphenyl)-3-oxopropyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 108874433
1-(3-chloro-2-methylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874436
1-(3-fluorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874691
3-[[3-(4-methylphenyl)-3-oxopropyl]carbamoylamino]benzoic acid
CID 108874416
1-(2-butan-2-ylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874721
4-[[3-(4-methylphenyl)-3-oxopropyl]carbamoylamino]benzoic acid
CID 108874435
1-(4-chlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874536
1-(2,4-dichlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874450
1-(5-chloro-2-hydroxyphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874556
3-(2,6-dimethylanilino)-1-(4-methylphenyl)propan-1-one
CID 94278587
1-butyl-3-(2-ethyl-6-methylphenyl)urea
CID 4278345

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The IUPAC name of 1-(2,6-diethylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea (CID 108874505) is 1-(2,6-diethylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea.
What is the SMILES notation for 1-(2,6-diethylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The canonical SMILES for 1-(2,6-diethylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea is CCc1cccc(CC)c1NC(=O)NCCC(=O)c1ccc(C)cc1.
What is the InChIKey of 1-(2,6-diethylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The InChIKey is FGCHEWNOZXIPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-4-16-7-6-8-17(5-2)20(16)23-21(25)22-14-13-19(24)18-11-9-15(3)10-12-18/h6-12H,4-5,13-14H2,1-3H3,(H2,22,23,25).
What are the key properties of 1-(2,6-diethylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
1-(2,6-diethylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea has a molecular weight of 338.45 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea is sourced from PubChem (CID 108874505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).