(3S,4S)-4-(2-chloropropan-2-yl)-1-cyclohexyl-3-phenylmethoxyazetidin-2-one

C19H26ClNO2 — CID 11290618

IUPAC(3S,4S)-4-(2-chloropropan-2-yl)-1-cyclohexyl-3-phenylmethoxyazetidin-2-one
SMILESCC(C)(Cl)[C@@H]1[C@H](OCc2ccccc2)C(=O)N1C1CCCCC1
InChIInChI=1S/C19H26ClNO2/c1-19(2,20)17-16(23-13-14-9-5-3-6-10-14)18(22)21(17)15-11-7-4-8-12-15/h3,5-6,9-10,15-17H,4,7-8,11-13H2,1-2H3/t16-,17-/m0/s1
InChIKeyFUXKSTMRYSXTHK-IRXDYDNUSA-N
MW335.88 g/mol
LogP4.13
Rot. Bonds5

About (3S,4S)-4-(2-chloropropan-2-yl)-1-cyclohexyl-3-phenylmethoxyazetidin-2-one

(3S,4S)-4-(2-chloropropan-2-yl)-1-cyclohexyl-3-phenylmethoxyazetidin-2-one (PubChem CID 11290618) has the molecular formula C19H26ClNO2 and a molecular weight of 335.88 g/mol. Its IUPAC name is (3S,4S)-4-(2-chloropropan-2-yl)-1-cyclohexyl-3-phenylmethoxyazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-4-(2-chloropropan-2-yl)-1-cyclohexyl-3-phenylmethoxyazetidin-2-one
PubChem CID11290618
Molecular FormulaC19H26ClNO2
Molecular Weight335.88 g/mol
Exact Mass335.17
IUPAC Name(3S,4S)-4-(2-chloropropan-2-yl)-1-cyclohexyl-3-phenylmethoxyazetidin-2-one
SMILESCC(C)(Cl)[C@@H]1[C@H](OCc2ccccc2)C(=O)N1C1CCCCC1
InChIInChI=1S/C19H26ClNO2/c1-19(2,20)17-16(23-13-14-9-5-3-6-10-14)18(22)21(17)15-11-7-4-8-12-15/h3,5-6,9-10,15-17H,4,7-8,11-13H2,1-2H3/t16-,17-/m0/s1
InChIKeyFUXKSTMRYSXTHK-IRXDYDNUSA-N
XLogP4.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 10521752
(3S,4S)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 10617763
(3S,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 134835524
(2R,3S)-3-chloro-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one
CID 11347415
(2R,3R)-3-chloro-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one
CID 15500414
1-{3-[(4-Chlorophenyl)methoxy]azetidin-1-YL}butan-1-one
CID 53034674
3-[(2R)-1-methylpiperidin-2-yl]-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one
CID 97200599
(3R,4R)-3-(Benzyloxy)-4-[(1S)-1-fluoroethyl]-3-methyl-2-azetidinone
CID 57785014
1-Benzyl-3-methyl-3-phenylmethoxyazetidin-2-one
CID 10446461
(3S,4R)-4-ethynyl-3-phenylmethoxy-1-prop-2-enylazetidin-2-one
CID 10657736
(3R,4S)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylmethoxy-4-propan-2-ylazetidin-2-one
CID 11220816
(3S,4S)-4-(2-chloropropan-2-yl)-3-phenylmethoxy-1-propan-2-ylazetidin-2-one
CID 11289443

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(2-chloropropan-2-yl)-1-cyclohexyl-3-phenylmethoxyazetidin-2-one?
The IUPAC name of (3S,4S)-4-(2-chloropropan-2-yl)-1-cyclohexyl-3-phenylmethoxyazetidin-2-one (CID 11290618) is (3S,4S)-4-(2-chloropropan-2-yl)-1-cyclohexyl-3-phenylmethoxyazetidin-2-one.
What is the SMILES notation for (3S,4S)-4-(2-chloropropan-2-yl)-1-cyclohexyl-3-phenylmethoxyazetidin-2-one?
The canonical SMILES for (3S,4S)-4-(2-chloropropan-2-yl)-1-cyclohexyl-3-phenylmethoxyazetidin-2-one is CC(C)(Cl)[C@@H]1[C@H](OCc2ccccc2)C(=O)N1C1CCCCC1.
What is the InChIKey of (3S,4S)-4-(2-chloropropan-2-yl)-1-cyclohexyl-3-phenylmethoxyazetidin-2-one?
The InChIKey is FUXKSTMRYSXTHK-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H26ClNO2/c1-19(2,20)17-16(23-13-14-9-5-3-6-10-14)18(22)21(17)15-11-7-4-8-12-15/h3,5-6,9-10,15-17H,4,7-8,11-13H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of (3S,4S)-4-(2-chloropropan-2-yl)-1-cyclohexyl-3-phenylmethoxyazetidin-2-one?
(3S,4S)-4-(2-chloropropan-2-yl)-1-cyclohexyl-3-phenylmethoxyazetidin-2-one has a molecular weight of 335.88 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(2-chloropropan-2-yl)-1-cyclohexyl-3-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 11290618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).