1-[3-[4-[4-[2-(4-methyl-3-oxopentoxy)ethoxy]-2-oxobutyl]phenyl]propanoyl]azetidin-2-one

C24H33NO6 — CID 146915048

IUPAC1-[3-[4-[4-[2-(4-methyl-3-oxopentoxy)ethoxy]-2-oxobutyl]phenyl]propanoyl]azetidin-2-one
SMILESCC(C)C(=O)CCOCCOCCC(=O)Cc1ccc(CCC(=O)N2CCC2=O)cc1
InChIInChI=1S/C24H33NO6/c1-18(2)22(27)11-14-31-16-15-30-13-10-21(26)17-20-5-3-19(4-6-20)7-8-23(28)25-12-9-24(25)29/h3-6,18H,7-17H2,1-2H3
InChIKeyACBNLHMNMDZAIW-UHFFFAOYSA-N
MW431.53 g/mol
LogP2.53
Rot. Bonds15

About 1-[3-[4-[4-[2-(4-methyl-3-oxopentoxy)ethoxy]-2-oxobutyl]phenyl]propanoyl]azetidin-2-one

1-[3-[4-[4-[2-(4-methyl-3-oxopentoxy)ethoxy]-2-oxobutyl]phenyl]propanoyl]azetidin-2-one (PubChem CID 146915048) has the molecular formula C24H33NO6 and a molecular weight of 431.53 g/mol. Its IUPAC name is 1-[3-[4-[4-[2-(4-methyl-3-oxopentoxy)ethoxy]-2-oxobutyl]phenyl]propanoyl]azetidin-2-one.

Molecular Properties

Compound Name1-[3-[4-[4-[2-(4-methyl-3-oxopentoxy)ethoxy]-2-oxobutyl]phenyl]propanoyl]azetidin-2-one
PubChem CID146915048
Molecular FormulaC24H33NO6
Molecular Weight431.53 g/mol
Exact Mass431.23
IUPAC Name1-[3-[4-[4-[2-(4-methyl-3-oxopentoxy)ethoxy]-2-oxobutyl]phenyl]propanoyl]azetidin-2-one
SMILESCC(C)C(=O)CCOCCOCCC(=O)Cc1ccc(CCC(=O)N2CCC2=O)cc1
InChIInChI=1S/C24H33NO6/c1-18(2)22(27)11-14-31-16-15-30-13-10-21(26)17-20-5-3-19(4-6-20)7-8-23(28)25-12-9-24(25)29/h3-6,18H,7-17H2,1-2H3
InChIKeyACBNLHMNMDZAIW-UHFFFAOYSA-N
XLogP2.53
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propanamide
CID 134421789
1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-one
CID 102373052
1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-one
CID 101318471
2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]prop-2-enamide
CID 134421748
4-methyl-1-[4-(3-propoxypropyl)phenyl]pentan-3-one
CID 155189144
N-[4-(4-methylphenyl)butyl]-2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetamide
CID 123319122
[2-(3-butanoyloxypropoxy)acetyl]-[[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methyl]azanide;rubidium(1+)
CID 59745767
4-methyl-1-[2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one
CID 178062981
N-[3-[2-oxo-2-[[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methylamino]ethoxy]propyl]butanamide
CID 59745823
4-methyl-1-[4-(2-methylpropanoyl)phenyl]pentan-3-one
CID 90089591
4-(4-methyl-3-oxopentyl)benzoic acid
CID 157191269
1,3-bis[3-(4-methoxyphenyl)propanoyl]imidazolidin-2-one
CID 102045392

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[4-[2-(4-methyl-3-oxopentoxy)ethoxy]-2-oxobutyl]phenyl]propanoyl]azetidin-2-one?
The IUPAC name of 1-[3-[4-[4-[2-(4-methyl-3-oxopentoxy)ethoxy]-2-oxobutyl]phenyl]propanoyl]azetidin-2-one (CID 146915048) is 1-[3-[4-[4-[2-(4-methyl-3-oxopentoxy)ethoxy]-2-oxobutyl]phenyl]propanoyl]azetidin-2-one.
What is the SMILES notation for 1-[3-[4-[4-[2-(4-methyl-3-oxopentoxy)ethoxy]-2-oxobutyl]phenyl]propanoyl]azetidin-2-one?
The canonical SMILES for 1-[3-[4-[4-[2-(4-methyl-3-oxopentoxy)ethoxy]-2-oxobutyl]phenyl]propanoyl]azetidin-2-one is CC(C)C(=O)CCOCCOCCC(=O)Cc1ccc(CCC(=O)N2CCC2=O)cc1.
What is the InChIKey of 1-[3-[4-[4-[2-(4-methyl-3-oxopentoxy)ethoxy]-2-oxobutyl]phenyl]propanoyl]azetidin-2-one?
The InChIKey is ACBNLHMNMDZAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO6/c1-18(2)22(27)11-14-31-16-15-30-13-10-21(26)17-20-5-3-19(4-6-20)7-8-23(28)25-12-9-24(25)29/h3-6,18H,7-17H2,1-2H3.
What are the key properties of 1-[3-[4-[4-[2-(4-methyl-3-oxopentoxy)ethoxy]-2-oxobutyl]phenyl]propanoyl]azetidin-2-one?
1-[3-[4-[4-[2-(4-methyl-3-oxopentoxy)ethoxy]-2-oxobutyl]phenyl]propanoyl]azetidin-2-one has a molecular weight of 431.53 g/mol, XLogP of 2.53, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[4-[2-(4-methyl-3-oxopentoxy)ethoxy]-2-oxobutyl]phenyl]propanoyl]azetidin-2-one is sourced from PubChem (CID 146915048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).