1-methyl-3-(7-methyltridecan-7-yl)azetidin-2-one

C18H35NO — CID 155158511

IUPAC1-methyl-3-(7-methyltridecan-7-yl)azetidin-2-one
SMILESCCCCCCC(C)(CCCCCC)C1CN(C)C1=O
InChIInChI=1S/C18H35NO/c1-5-7-9-11-13-18(3,14-12-10-8-6-2)16-15-19(4)17(16)20/h16H,5-15H2,1-4H3
InChIKeyJSCVNCHHXJAYON-UHFFFAOYSA-N
MW281.48 g/mol
LogP5.02
Rot. Bonds11

About 1-methyl-3-(7-methyltridecan-7-yl)azetidin-2-one

1-methyl-3-(7-methyltridecan-7-yl)azetidin-2-one (PubChem CID 155158511) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 1-methyl-3-(7-methyltridecan-7-yl)azetidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(7-methyltridecan-7-yl)azetidin-2-one
PubChem CID155158511
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name1-methyl-3-(7-methyltridecan-7-yl)azetidin-2-one
SMILESCCCCCCC(C)(CCCCCC)C1CN(C)C1=O
InChIInChI=1S/C18H35NO/c1-5-7-9-11-13-18(3,14-12-10-8-6-2)16-15-19(4)17(16)20/h16H,5-15H2,1-4H3
InChIKeyJSCVNCHHXJAYON-UHFFFAOYSA-N
XLogP5.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.48
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(8-methylpentadecan-8-yl)azetidin-2-one
CID 134225694
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CID 166868082
3-(5-methyldodecan-5-yl)-1-methylsulfonylazetidine
CID 134420427
3-tert-butyl-1-nonylpiperazine-2,5-dione
CID 64880756
12-bromo-12-undecyltricosane
CID 88743185
3-methyl-1-nonylpiperazin-2-one
CID 63608174
4-dodecyl-1-methylpyrrolidin-2-one
CID 175232910
1-(4-butyl-4-methylnonyl)-3-methylpyrrolidin-2-one
CID 167256372
19-hexadecyl-19-nonylnonatriacontane
CID 90913331
6,6-dipentylpentadecane
CID 152650171
8-hexyl-8-pentylhexadecane
CID 521602
9,9-dioctyloctadecane
CID 19690418

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(7-methyltridecan-7-yl)azetidin-2-one?
The IUPAC name of 1-methyl-3-(7-methyltridecan-7-yl)azetidin-2-one (CID 155158511) is 1-methyl-3-(7-methyltridecan-7-yl)azetidin-2-one.
What is the SMILES notation for 1-methyl-3-(7-methyltridecan-7-yl)azetidin-2-one?
The canonical SMILES for 1-methyl-3-(7-methyltridecan-7-yl)azetidin-2-one is CCCCCCC(C)(CCCCCC)C1CN(C)C1=O.
What is the InChIKey of 1-methyl-3-(7-methyltridecan-7-yl)azetidin-2-one?
The InChIKey is JSCVNCHHXJAYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-5-7-9-11-13-18(3,14-12-10-8-6-2)16-15-19(4)17(16)20/h16H,5-15H2,1-4H3.
What are the key properties of 1-methyl-3-(7-methyltridecan-7-yl)azetidin-2-one?
1-methyl-3-(7-methyltridecan-7-yl)azetidin-2-one has a molecular weight of 281.48 g/mol, XLogP of 5.02, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(7-methyltridecan-7-yl)azetidin-2-one is sourced from PubChem (CID 155158511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).