(3R,4S)-3-[3-(4-chlorophenyl)propyl]-4-methyl-1-(oxan-2-yloxy)azetidin-2-one

C18H24ClNO3 — CID 57026434

IUPAC(3R,4S)-3-[3-(4-chlorophenyl)propyl]-4-methyl-1-(oxan-2-yloxy)azetidin-2-one
SMILESC[C@H]1[C@@H](CCCc2ccc(Cl)cc2)C(=O)N1OC1CCCCO1
InChIInChI=1S/C18H24ClNO3/c1-13-16(6-4-5-14-8-10-15(19)11-9-14)18(21)20(13)23-17-7-2-3-12-22-17/h8-11,13,16-17H,2-7,12H2,1H3/t13-,16+,17?/m0/s1
InChIKeyRJJHINQMBSZIIO-XVMZJDAESA-N
MW337.85 g/mol
LogP3.97
Rot. Bonds6

About (3R,4S)-3-[3-(4-chlorophenyl)propyl]-4-methyl-1-(oxan-2-yloxy)azetidin-2-one

(3R,4S)-3-[3-(4-chlorophenyl)propyl]-4-methyl-1-(oxan-2-yloxy)azetidin-2-one (PubChem CID 57026434) has the molecular formula C18H24ClNO3 and a molecular weight of 337.85 g/mol. Its IUPAC name is (3R,4S)-3-[3-(4-chlorophenyl)propyl]-4-methyl-1-(oxan-2-yloxy)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-[3-(4-chlorophenyl)propyl]-4-methyl-1-(oxan-2-yloxy)azetidin-2-one
PubChem CID57026434
Molecular FormulaC18H24ClNO3
Molecular Weight337.85 g/mol
Exact Mass337.14
IUPAC Name(3R,4S)-3-[3-(4-chlorophenyl)propyl]-4-methyl-1-(oxan-2-yloxy)azetidin-2-one
SMILESC[C@H]1[C@@H](CCCc2ccc(Cl)cc2)C(=O)N1OC1CCCCO1
InChIInChI=1S/C18H24ClNO3/c1-13-16(6-4-5-14-8-10-15(19)11-9-14)18(21)20(13)23-17-7-2-3-12-22-17/h8-11,13,16-17H,2-7,12H2,1H3/t13-,16+,17?/m0/s1
InChIKeyRJJHINQMBSZIIO-XVMZJDAESA-N
XLogP3.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(oxan-2-yloxy)-3-(5-phenylpentyl)azetidin-2-one
CID 21268070
4-methyl-1-(oxan-2-yloxy)-3-prop-2-ynylazetidin-2-one
CID 18333989
(3R,4S)-4-methyl-1-(oxan-2-yloxy)-3-[(4-phenylcyclohexyl)methyl]azetidin-2-one
CID 56987650
4-methyl-1-(oxan-2-yloxy)-3-[(E)-3-thiophen-2-ylprop-2-enyl]azetidin-2-one
CID 21268063
(3R,4S)-4-benzyl-3-(3-methylbutyl)-1-(oxan-2-yloxy)azetidin-2-one
CID 10936465
(3R,4S)-3-(2-methylpropyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one
CID 57199576
(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
(2R)-5-(4-chlorophenyl)-2-[(1S)-1-[formyl(oxan-2-yloxy)amino]ethyl]pentanoic acid
CID 57316317
tert-butyl-dimethyl-[4-[3-(oxan-2-yloxy)propyl]phenoxy]silane
CID 11473578
2-[(4-chlorophenyl)methoxy]oxolane
CID 102105550
2-[3-[4-(trifluoromethyl)phenyl]propoxy]oxane
CID 118808170

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-[3-(4-chlorophenyl)propyl]-4-methyl-1-(oxan-2-yloxy)azetidin-2-one?
The IUPAC name of (3R,4S)-3-[3-(4-chlorophenyl)propyl]-4-methyl-1-(oxan-2-yloxy)azetidin-2-one (CID 57026434) is (3R,4S)-3-[3-(4-chlorophenyl)propyl]-4-methyl-1-(oxan-2-yloxy)azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-[3-(4-chlorophenyl)propyl]-4-methyl-1-(oxan-2-yloxy)azetidin-2-one?
The canonical SMILES for (3R,4S)-3-[3-(4-chlorophenyl)propyl]-4-methyl-1-(oxan-2-yloxy)azetidin-2-one is C[C@H]1[C@@H](CCCc2ccc(Cl)cc2)C(=O)N1OC1CCCCO1.
What is the InChIKey of (3R,4S)-3-[3-(4-chlorophenyl)propyl]-4-methyl-1-(oxan-2-yloxy)azetidin-2-one?
The InChIKey is RJJHINQMBSZIIO-XVMZJDAESA-N. The full InChI is InChI=1S/C18H24ClNO3/c1-13-16(6-4-5-14-8-10-15(19)11-9-14)18(21)20(13)23-17-7-2-3-12-22-17/h8-11,13,16-17H,2-7,12H2,1H3/t13-,16+,17?/m0/s1.
What are the key properties of (3R,4S)-3-[3-(4-chlorophenyl)propyl]-4-methyl-1-(oxan-2-yloxy)azetidin-2-one?
(3R,4S)-3-[3-(4-chlorophenyl)propyl]-4-methyl-1-(oxan-2-yloxy)azetidin-2-one has a molecular weight of 337.85 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-[3-(4-chlorophenyl)propyl]-4-methyl-1-(oxan-2-yloxy)azetidin-2-one is sourced from PubChem (CID 57026434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).