4-methyl-1-(oxan-2-yloxy)-3-(5-phenylpentyl)azetidin-2-one

C20H29NO3 — CID 21268070

IUPAC4-methyl-1-(oxan-2-yloxy)-3-(5-phenylpentyl)azetidin-2-one
SMILESCC1C(CCCCCc2ccccc2)C(=O)N1OC1CCCCO1
InChIInChI=1S/C20H29NO3/c1-16-18(13-7-3-6-12-17-10-4-2-5-11-17)20(22)21(16)24-19-14-8-9-15-23-19/h2,4-5,10-11,16,18-19H,3,6-9,12-15H2,1H3
InChIKeyYTKLZFCQOZFBAZ-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.09
Rot. Bonds8

About 4-methyl-1-(oxan-2-yloxy)-3-(5-phenylpentyl)azetidin-2-one

4-methyl-1-(oxan-2-yloxy)-3-(5-phenylpentyl)azetidin-2-one (PubChem CID 21268070) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-methyl-1-(oxan-2-yloxy)-3-(5-phenylpentyl)azetidin-2-one.

Molecular Properties

Compound Name4-methyl-1-(oxan-2-yloxy)-3-(5-phenylpentyl)azetidin-2-one
PubChem CID21268070
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name4-methyl-1-(oxan-2-yloxy)-3-(5-phenylpentyl)azetidin-2-one
SMILESCC1C(CCCCCc2ccccc2)C(=O)N1OC1CCCCO1
InChIInChI=1S/C20H29NO3/c1-16-18(13-7-3-6-12-17-10-4-2-5-11-17)20(22)21(16)24-19-14-8-9-15-23-19/h2,4-5,10-11,16,18-19H,3,6-9,12-15H2,1H3
InChIKeyYTKLZFCQOZFBAZ-UHFFFAOYSA-N
XLogP4.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-3-[3-(4-chlorophenyl)propyl]-4-methyl-1-(oxan-2-yloxy)azetidin-2-one
CID 57026434
(3R,4S)-4-methyl-1-(oxan-2-yloxy)-3-[(4-phenylcyclohexyl)methyl]azetidin-2-one
CID 56987650
(3R,4S)-4-benzyl-3-(3-methylbutyl)-1-(oxan-2-yloxy)azetidin-2-one
CID 10936465
4-methyl-1-(oxan-2-yloxy)-3-prop-2-ynylazetidin-2-one
CID 18333989
4-methyl-1-(oxan-2-yloxy)-3-[(E)-3-thiophen-2-ylprop-2-enyl]azetidin-2-one
CID 21268063
2-[11-[4-(4-phenylphenyl)phenyl]undecoxy]oxane
CID 86055226
oxan-2-yl 3-phenylpropanoate
CID 10609743
(3R,4S)-3-(2-methylpropyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one
CID 57199576
7-(oxan-2-yloxy)-1-phenylheptan-3-one
CID 14472634
(3R,4S)-3-(3-methylbutyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one
CID 11098054
3-(cyclohexylmethyl)-4-ethyl-1-(oxan-2-yloxy)azetidin-2-one
CID 54244937
5-cyclopropylpentylbenzene
CID 91089836

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(oxan-2-yloxy)-3-(5-phenylpentyl)azetidin-2-one?
The IUPAC name of 4-methyl-1-(oxan-2-yloxy)-3-(5-phenylpentyl)azetidin-2-one (CID 21268070) is 4-methyl-1-(oxan-2-yloxy)-3-(5-phenylpentyl)azetidin-2-one.
What is the SMILES notation for 4-methyl-1-(oxan-2-yloxy)-3-(5-phenylpentyl)azetidin-2-one?
The canonical SMILES for 4-methyl-1-(oxan-2-yloxy)-3-(5-phenylpentyl)azetidin-2-one is CC1C(CCCCCc2ccccc2)C(=O)N1OC1CCCCO1.
What is the InChIKey of 4-methyl-1-(oxan-2-yloxy)-3-(5-phenylpentyl)azetidin-2-one?
The InChIKey is YTKLZFCQOZFBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c1-16-18(13-7-3-6-12-17-10-4-2-5-11-17)20(22)21(16)24-19-14-8-9-15-23-19/h2,4-5,10-11,16,18-19H,3,6-9,12-15H2,1H3.
What are the key properties of 4-methyl-1-(oxan-2-yloxy)-3-(5-phenylpentyl)azetidin-2-one?
4-methyl-1-(oxan-2-yloxy)-3-(5-phenylpentyl)azetidin-2-one has a molecular weight of 331.46 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(oxan-2-yloxy)-3-(5-phenylpentyl)azetidin-2-one is sourced from PubChem (CID 21268070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).