3-methyl-4-phenoxy-1-(6-phenylhexyl)azetidin-2-one

C22H27NO2 — CID 57141330

IUPAC3-methyl-4-phenoxy-1-(6-phenylhexyl)azetidin-2-one
SMILESCC1C(=O)N(CCCCCCc2ccccc2)C1Oc1ccccc1
InChIInChI=1S/C22H27NO2/c1-18-21(24)23(22(18)25-20-15-9-5-10-16-20)17-11-3-2-6-12-19-13-7-4-8-14-19/h4-5,7-10,13-16,18,22H,2-3,6,11-12,17H2,1H3
InChIKeyAVSHCCDFJVKFJR-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.67
Rot. Bonds9

About 3-methyl-4-phenoxy-1-(6-phenylhexyl)azetidin-2-one

3-methyl-4-phenoxy-1-(6-phenylhexyl)azetidin-2-one (PubChem CID 57141330) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 3-methyl-4-phenoxy-1-(6-phenylhexyl)azetidin-2-one.

Molecular Properties

Compound Name3-methyl-4-phenoxy-1-(6-phenylhexyl)azetidin-2-one
PubChem CID57141330
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name3-methyl-4-phenoxy-1-(6-phenylhexyl)azetidin-2-one
SMILESCC1C(=O)N(CCCCCCc2ccccc2)C1Oc1ccccc1
InChIInChI=1S/C22H27NO2/c1-18-21(24)23(22(18)25-20-15-9-5-10-16-20)17-11-3-2-6-12-19-13-7-4-8-14-19/h4-5,7-10,13-16,18,22H,2-3,6,11-12,17H2,1H3
InChIKeyAVSHCCDFJVKFJR-UHFFFAOYSA-N
XLogP4.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-3-methyl-4-methylsulfanyl-1-(6-phenylhexyl)azetidin-2-one
CID 54068518
3-methyl-4-methylsulfinyl-1-(6-phenylhexyl)azetidin-2-one
CID 18781950
3-ethyl-6-methyl-1-(4-phenylbutyl)piperazine-2,5-dione
CID 114334980
5-butyl-2-(3-phenoxyphenyl)-3-(5-phenylpentyl)-1,3-thiazolidin-4-one
CID 19990577
2-[(2R,3R)-3-methyl-2-methylsulfanyl-4-oxoazetidin-1-yl]-N-(6-phenylhexyl)acetamide
CID 70275870
3-hexyl-2-methyl-5-(2-phenylethyl)imidazolidin-4-one
CID 114926561
(3R)-3-methyl-1-(2-phenylethyl)-4-(3-phenylpropyl)piperazine-2,5-dione
CID 165419017
5-butyl-1,1-dioxo-2-(3-phenoxyphenyl)-3-(4-phenylbutyl)-1,3-thiazolidin-4-one
CID 19990606
5-butyl-3-(4-phenylbutyl)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 19990596
pentanonacontylbenzene
CID 165359347
octylbenzene
CID 16607
octacosylbenzene
CID 14228596

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenoxy-1-(6-phenylhexyl)azetidin-2-one?
The IUPAC name of 3-methyl-4-phenoxy-1-(6-phenylhexyl)azetidin-2-one (CID 57141330) is 3-methyl-4-phenoxy-1-(6-phenylhexyl)azetidin-2-one.
What is the SMILES notation for 3-methyl-4-phenoxy-1-(6-phenylhexyl)azetidin-2-one?
The canonical SMILES for 3-methyl-4-phenoxy-1-(6-phenylhexyl)azetidin-2-one is CC1C(=O)N(CCCCCCc2ccccc2)C1Oc1ccccc1.
What is the InChIKey of 3-methyl-4-phenoxy-1-(6-phenylhexyl)azetidin-2-one?
The InChIKey is AVSHCCDFJVKFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-18-21(24)23(22(18)25-20-15-9-5-10-16-20)17-11-3-2-6-12-19-13-7-4-8-14-19/h4-5,7-10,13-16,18,22H,2-3,6,11-12,17H2,1H3.
What are the key properties of 3-methyl-4-phenoxy-1-(6-phenylhexyl)azetidin-2-one?
3-methyl-4-phenoxy-1-(6-phenylhexyl)azetidin-2-one has a molecular weight of 337.46 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenoxy-1-(6-phenylhexyl)azetidin-2-one is sourced from PubChem (CID 57141330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).