1-(1-acetylazetidin-3-yl)-3-(2,6-dimethylphenyl)urea

C14H19N3O2 — CID 126821450

IUPAC1-(1-acetylazetidin-3-yl)-3-(2,6-dimethylphenyl)urea
SMILESCC(=O)N1CC(NC(=O)Nc2c(C)cccc2C)C1
InChIInChI=1S/C14H19N3O2/c1-9-5-4-6-10(2)13(9)16-14(19)15-12-7-17(8-12)11(3)18/h4-6,12H,7-8H2,1-3H3,(H2,15,16,19)
InChIKeyYJTZBYGJUKUCFF-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.66
Rot. Bonds2

About 1-(1-acetylazetidin-3-yl)-3-(2,6-dimethylphenyl)urea

1-(1-acetylazetidin-3-yl)-3-(2,6-dimethylphenyl)urea (PubChem CID 126821450) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(1-acetylazetidin-3-yl)-3-(2,6-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(1-acetylazetidin-3-yl)-3-(2,6-dimethylphenyl)urea
PubChem CID126821450
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-(1-acetylazetidin-3-yl)-3-(2,6-dimethylphenyl)urea
SMILESCC(=O)N1CC(NC(=O)Nc2c(C)cccc2C)C1
InChIInChI=1S/C14H19N3O2/c1-9-5-4-6-10(2)13(9)16-14(19)15-12-7-17(8-12)11(3)18/h4-6,12H,7-8H2,1-3H3,(H2,15,16,19)
InChIKeyYJTZBYGJUKUCFF-UHFFFAOYSA-N
XLogP1.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-acetylazetidin-3-yl)-3-(2-methyl-3-nitrophenyl)urea
CID 126821448
4-acetyl-N-(2,6-dimethylphenyl)piperazine-1-carbothioamide
CID 23962507
1-(1-benzylpyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea
CID 23852464
2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid
CID 61187186
1-cyclohexyl-3-(2-ethyl-6-methylphenyl)urea
CID 3326830
1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea
CID 104721687
1-(2,6-dimethylphenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547436
1-(1,3-dimethyl-4-oxoimidazolidin-2-yl)-3-(2,6-dimethylphenyl)urea
CID 150855442
1-(2-tert-butyl-6-methylphenyl)-3-cyclopentylurea
CID 67522114
cis-(1R,3S)-3-[(2-ethyl-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106323996
1-(2,6-dimethylphenyl)-3-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 43813919
3-methyl-2-[(4-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61184202

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylazetidin-3-yl)-3-(2,6-dimethylphenyl)urea?
The IUPAC name of 1-(1-acetylazetidin-3-yl)-3-(2,6-dimethylphenyl)urea (CID 126821450) is 1-(1-acetylazetidin-3-yl)-3-(2,6-dimethylphenyl)urea.
What is the SMILES notation for 1-(1-acetylazetidin-3-yl)-3-(2,6-dimethylphenyl)urea?
The canonical SMILES for 1-(1-acetylazetidin-3-yl)-3-(2,6-dimethylphenyl)urea is CC(=O)N1CC(NC(=O)Nc2c(C)cccc2C)C1.
What is the InChIKey of 1-(1-acetylazetidin-3-yl)-3-(2,6-dimethylphenyl)urea?
The InChIKey is YJTZBYGJUKUCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-5-4-6-10(2)13(9)16-14(19)15-12-7-17(8-12)11(3)18/h4-6,12H,7-8H2,1-3H3,(H2,15,16,19).
What are the key properties of 1-(1-acetylazetidin-3-yl)-3-(2,6-dimethylphenyl)urea?
1-(1-acetylazetidin-3-yl)-3-(2,6-dimethylphenyl)urea has a molecular weight of 261.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylazetidin-3-yl)-3-(2,6-dimethylphenyl)urea is sourced from PubChem (CID 126821450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).