benzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-ene-9-carboxylate

C22H24N2O3 — CID 69317889

IUPACbenzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-ene-9-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC2(CC1)CC(c1ccccc1)=NO2
InChIInChI=1S/C22H24N2O3/c25-21(26-17-18-8-3-1-4-9-18)24-14-7-12-22(13-15-24)16-20(23-27-22)19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2
InChIKeyFSUUVOYKYXGMHB-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.37
Rot. Bonds3

About benzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-ene-9-carboxylate

benzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-ene-9-carboxylate (PubChem CID 69317889) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is benzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-ene-9-carboxylate.

Molecular Properties

Compound Namebenzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-ene-9-carboxylate
PubChem CID69317889
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Namebenzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-ene-9-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC2(CC1)CC(c1ccccc1)=NO2
InChIInChI=1S/C22H24N2O3/c25-21(26-17-18-8-3-1-4-9-18)24-14-7-12-22(13-15-24)16-20(23-27-22)19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2
InChIKeyFSUUVOYKYXGMHB-UHFFFAOYSA-N
XLogP4.37
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9,9a-Diphenyl-2,3,4,5-tetrahydroimidazo[5,1-b][1,3]oxazepin-7(9ah)-one
CID 129876304
Benzyl 4-(hydroxyimino)piperidine-1-carboxylate
CID 20785215
tert-butyl 2-[(Z)-C-phenyl-N-phenylmethoxycarbonimidoyl]pyrrolidine-1-carboxylate
CID 21106392
tert-butyl (3Z)-3-phenylmethoxyiminopiperidine-1-carboxylate
CID 21942197
ethyl 2-[(Z)-C-phenyl-N-phenylmethoxycarbonimidoyl]pyrrolidine-1-carboxylate
CID 58883230
Benzyl (3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-en-9-yl) carbonate
CID 69278703
Azane;benzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-ene-9-carboxylate
CID 69320358
ethyl 2-(C-phenyl-N-phenylmethoxycarbonimidoyl)pyrrolidine-1-carboxylate
CID 72451687
tert-butyl 2-(C-phenyl-N-phenylmethoxycarbonimidoyl)pyrrolidine-1-carboxylate
CID 73743103
Benzyl 4-methoxyiminopiperidine-1-carboxylate
CID 85533481
Tert-butyl 3-phenylmethoxyiminopiperidine-1-carboxylate
CID 87185197
Ethyl 2-[(6-phenylmethoxyiminocyclohexa-1,3-dien-1-yl)methyl]pyrrolidine-1-carboxylate
CID 87539181

Frequently Asked Questions

What is the IUPAC name of benzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-ene-9-carboxylate?
The IUPAC name of benzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-ene-9-carboxylate (CID 69317889) is benzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-ene-9-carboxylate.
What is the SMILES notation for benzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-ene-9-carboxylate?
The canonical SMILES for benzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-ene-9-carboxylate is O=C(OCc1ccccc1)N1CCCC2(CC1)CC(c1ccccc1)=NO2.
What is the InChIKey of benzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-ene-9-carboxylate?
The InChIKey is FSUUVOYKYXGMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-21(26-17-18-8-3-1-4-9-18)24-14-7-12-22(13-15-24)16-20(23-27-22)19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2.
What are the key properties of benzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-ene-9-carboxylate?
benzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-ene-9-carboxylate has a molecular weight of 364.45 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-ene-9-carboxylate is sourced from PubChem (CID 69317889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).