ethyl 4-oxo-1-phenyl-3-phenylmethoxyazetidine-2-carboxylate

C19H19NO4 — CID 102569820

IUPACethyl 4-oxo-1-phenyl-3-phenylmethoxyazetidine-2-carboxylate
SMILESCCOC(=O)C1C(OCc2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C19H19NO4/c1-2-23-19(22)16-17(24-13-14-9-5-3-6-10-14)18(21)20(16)15-11-7-4-8-12-15/h3-12,16-17H,2,13H2,1H3
InChIKeyKTTXJLSDYMRIKY-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.55
Rot. Bonds6

About ethyl 4-oxo-1-phenyl-3-phenylmethoxyazetidine-2-carboxylate

ethyl 4-oxo-1-phenyl-3-phenylmethoxyazetidine-2-carboxylate (PubChem CID 102569820) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is ethyl 4-oxo-1-phenyl-3-phenylmethoxyazetidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-1-phenyl-3-phenylmethoxyazetidine-2-carboxylate
PubChem CID102569820
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Nameethyl 4-oxo-1-phenyl-3-phenylmethoxyazetidine-2-carboxylate
SMILESCCOC(=O)C1C(OCc2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C19H19NO4/c1-2-23-19(22)16-17(24-13-14-9-5-3-6-10-14)18(21)20(16)15-11-7-4-8-12-15/h3-12,16-17H,2,13H2,1H3
InChIKeyKTTXJLSDYMRIKY-UHFFFAOYSA-N
XLogP2.55
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R,3R)-1-(4-methoxyphenyl)-4-oxo-3-phenylmethoxyazetidine-2-carboxylate
CID 100915474
ethyl (2R,3S)-3-benzyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
CID 135014634
1-O-benzyl 2-O-ethyl (2R,3S)-3-(2-phenylethyl)aziridine-1,2-dicarboxylate
CID 91191519
diethyl (2R,3S)-1-[4-[(2R,3S)-2,3-bis(ethoxycarbonyl)aziridin-1-yl]phenyl]aziridine-2,3-dicarboxylate
CID 53466796
(2S,3S)-1-benzyl-3-ethoxycarbonylaziridine-2-carboxylic acid
CID 139695326
ethyl (E)-3-[(2S,3R)-1-benzyl-4-oxo-3-phenylmethoxyazetidin-2-yl]prop-2-enoate
CID 10948526
ethyl 4-anilino-5-oxo-1,3-diphenylimidazolidine-2-carboxylate
CID 102027595
ethyl 4-oxo-2,3-diphenyl-1,3-thiazolidine-5-carboxylate
CID 117065587
ethyl (3R,6S,7R,8S,8aS)-6,7-dihydroxy-5-oxo-8-phenylmethoxy-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
CID 11024980
(3R,4R)-4-(iodomethyl)-1-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one
CID 11452971
(2R,3R)-1-(4-methoxyphenyl)-4-oxo-3-phenylmethoxyazetidine-2-carbaldehyde
CID 10403184
benzyl N-[(3S,4R)-2-oxo-1,4-diphenylazetidin-3-yl]-N-phenylmethoxycarbonylcarbamate
CID 15858119

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-1-phenyl-3-phenylmethoxyazetidine-2-carboxylate?
The IUPAC name of ethyl 4-oxo-1-phenyl-3-phenylmethoxyazetidine-2-carboxylate (CID 102569820) is ethyl 4-oxo-1-phenyl-3-phenylmethoxyazetidine-2-carboxylate.
What is the SMILES notation for ethyl 4-oxo-1-phenyl-3-phenylmethoxyazetidine-2-carboxylate?
The canonical SMILES for ethyl 4-oxo-1-phenyl-3-phenylmethoxyazetidine-2-carboxylate is CCOC(=O)C1C(OCc2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of ethyl 4-oxo-1-phenyl-3-phenylmethoxyazetidine-2-carboxylate?
The InChIKey is KTTXJLSDYMRIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-2-23-19(22)16-17(24-13-14-9-5-3-6-10-14)18(21)20(16)15-11-7-4-8-12-15/h3-12,16-17H,2,13H2,1H3.
What are the key properties of ethyl 4-oxo-1-phenyl-3-phenylmethoxyazetidine-2-carboxylate?
ethyl 4-oxo-1-phenyl-3-phenylmethoxyazetidine-2-carboxylate has a molecular weight of 325.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-1-phenyl-3-phenylmethoxyazetidine-2-carboxylate is sourced from PubChem (CID 102569820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).