ethyl 1-benzhydrylazetidine-3-carboxylate

C19H21NO2 — CID 3300764

IUPACethyl 1-benzhydrylazetidine-3-carboxylate
SMILESCCOC(=O)C1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H21NO2/c1-2-22-19(21)17-13-20(14-17)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-18H,2,13-14H2,1H3
InChIKeyBSXVAZZGSMOSNR-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.27
Rot. Bonds5

About ethyl 1-benzhydrylazetidine-3-carboxylate

ethyl 1-benzhydrylazetidine-3-carboxylate (PubChem CID 3300764) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is ethyl 1-benzhydrylazetidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzhydrylazetidine-3-carboxylate
PubChem CID3300764
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Nameethyl 1-benzhydrylazetidine-3-carboxylate
SMILESCCOC(=O)C1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H21NO2/c1-2-22-19(21)17-13-20(14-17)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-18H,2,13-14H2,1H3
InChIKeyBSXVAZZGSMOSNR-UHFFFAOYSA-N
XLogP3.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(1-benzhydrylazetidine-3-carbonyl)piperidine-4-carboxylate
CID 29133609
carbamoyl 1-benzhydrylazetidine-3-carboxylate
CID 91408573
ethyl 4-benzhydryl-1-(3,3-diphenylpropanoyl)piperazine-2-carboxylate
CID 10324784
1-benzhydryl-N-methoxy-N-methylazetidine-3-carboxamide
CID 22506711
1-benzhydryl-3-(2,4-diethoxy-3-methylpenta-1,4-dien-3-yl)azetidine
CID 178167067
ethyl (3R)-1-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]piperidine-3-carboxylate
CID 27069320
ethyl 2-(4-benzhydrylpiperazin-1-yl)-3-oxobutanoate
CID 175095148
ethyl 4-(4-benzhydrylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 34292601
ethyl 1-(2-amino-2-phenylacetyl)piperidine-3-carboxylate
CID 76892741
ethyl 1-(2-phenylbutanoyl)piperidine-3-carboxylate
CID 3273147
ethyl 1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxylate
CID 9046776
ethyl (2S,5R,6S)-1-benzhydryl-5-hydroxy-6-methylpiperidine-2-carboxylate
CID 15552371

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzhydrylazetidine-3-carboxylate?
The IUPAC name of ethyl 1-benzhydrylazetidine-3-carboxylate (CID 3300764) is ethyl 1-benzhydrylazetidine-3-carboxylate.
What is the SMILES notation for ethyl 1-benzhydrylazetidine-3-carboxylate?
The canonical SMILES for ethyl 1-benzhydrylazetidine-3-carboxylate is CCOC(=O)C1CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of ethyl 1-benzhydrylazetidine-3-carboxylate?
The InChIKey is BSXVAZZGSMOSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-2-22-19(21)17-13-20(14-17)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-18H,2,13-14H2,1H3.
What are the key properties of ethyl 1-benzhydrylazetidine-3-carboxylate?
ethyl 1-benzhydrylazetidine-3-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzhydrylazetidine-3-carboxylate is sourced from PubChem (CID 3300764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).