1-methyl-3-(8-methylpentadecan-8-yl)azetidin-2-one

C20H39NO — CID 134225694

IUPAC1-methyl-3-(8-methylpentadecan-8-yl)azetidin-2-one
SMILESCCCCCCCC(C)(CCCCCCC)C1CN(C)C1=O
InChIInChI=1S/C20H39NO/c1-5-7-9-11-13-15-20(3,16-14-12-10-8-6-2)18-17-21(4)19(18)22/h18H,5-17H2,1-4H3
InChIKeyGNSUPZIJUKSRTN-UHFFFAOYSA-N
MW309.54 g/mol
LogP5.80
Rot. Bonds13

About 1-methyl-3-(8-methylpentadecan-8-yl)azetidin-2-one

1-methyl-3-(8-methylpentadecan-8-yl)azetidin-2-one (PubChem CID 134225694) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is 1-methyl-3-(8-methylpentadecan-8-yl)azetidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(8-methylpentadecan-8-yl)azetidin-2-one
PubChem CID134225694
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC Name1-methyl-3-(8-methylpentadecan-8-yl)azetidin-2-one
SMILESCCCCCCCC(C)(CCCCCCC)C1CN(C)C1=O
InChIInChI=1S/C20H39NO/c1-5-7-9-11-13-15-20(3,16-14-12-10-8-6-2)18-17-21(4)19(18)22/h18H,5-17H2,1-4H3
InChIKeyGNSUPZIJUKSRTN-UHFFFAOYSA-N
XLogP5.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 55.80
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-(7-methyltridecan-7-yl)azetidin-2-one
CID 155158511
1-methyl-3-(2-methyloctan-2-yl)imidazolidin-2-one
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-(8-methylpentadecan-8-yl)azetidin-2-one?
The IUPAC name of 1-methyl-3-(8-methylpentadecan-8-yl)azetidin-2-one (CID 134225694) is 1-methyl-3-(8-methylpentadecan-8-yl)azetidin-2-one.
What is the SMILES notation for 1-methyl-3-(8-methylpentadecan-8-yl)azetidin-2-one?
The canonical SMILES for 1-methyl-3-(8-methylpentadecan-8-yl)azetidin-2-one is CCCCCCCC(C)(CCCCCCC)C1CN(C)C1=O.
What is the InChIKey of 1-methyl-3-(8-methylpentadecan-8-yl)azetidin-2-one?
The InChIKey is GNSUPZIJUKSRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-5-7-9-11-13-15-20(3,16-14-12-10-8-6-2)18-17-21(4)19(18)22/h18H,5-17H2,1-4H3.
What are the key properties of 1-methyl-3-(8-methylpentadecan-8-yl)azetidin-2-one?
1-methyl-3-(8-methylpentadecan-8-yl)azetidin-2-one has a molecular weight of 309.54 g/mol, XLogP of 5.80, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(8-methylpentadecan-8-yl)azetidin-2-one is sourced from PubChem (CID 134225694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).