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

C22H24N2O3 — CID 90702828

IUPACbenzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene-9-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC2(C=C(c3ccccc3)NO2)CC1
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/h1-6,8-11,16,23H,7,12-15,17H2
InChIKeyOYCBVUBIGQLIAO-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.12
Rot. Bonds3

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

benzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene-9-carboxylate (PubChem CID 90702828) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is benzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene-9-carboxylate.

Molecular Properties

Compound Namebenzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene-9-carboxylate
PubChem CID90702828
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Namebenzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene-9-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC2(C=C(c3ccccc3)NO2)CC1
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/h1-6,8-11,16,23H,7,12-15,17H2
InChIKeyOYCBVUBIGQLIAO-UHFFFAOYSA-N
XLogP4.12
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10493956
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CID 10494947
3-Benzyl-5-phenyl-4-prop-2-enyl-1,3-oxazol-2-one
CID 102591110
benzyl 2-ethyl-6-phenyl-2H-pyridine-1-carboxylate
CID 135069342
Benzyl 3-benzyl-4-methylidene-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
CID 19814258
Tert-butyl 3-[benzyl(phenylmethoxycarbonyl)amino]-4-methyl-2,5-dihydropyrrole-1-carboxylate
CID 58751595
Benzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-ene-9-carboxylate
CID 69317889
Azane;benzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-ene-9-carboxylate
CID 69320358
Tert-butyl 4-[[4-(1-aminoethenyl)phenyl]methoxy]piperidine-1-carboxylate
CID 89225394
Benzyl 4-amino-1-benzyl-5-hydroxyazepan-1-ium-1-carboxylate
CID 89599662
Tert-butyl 2-[phenyl-(phenylmethoxyamino)methylidene]pyrrolidine-1-carboxylate
CID 90689560
Benzyl (3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-en-9-yl) carbonate
CID 90814915

Frequently Asked Questions

What is the IUPAC name of benzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene-9-carboxylate?
The IUPAC name of benzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene-9-carboxylate (CID 90702828) is benzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene-9-carboxylate.
What is the SMILES notation for benzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene-9-carboxylate?
The canonical SMILES for benzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene-9-carboxylate is O=C(OCc1ccccc1)N1CCCC2(C=C(c3ccccc3)NO2)CC1.
What is the InChIKey of benzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene-9-carboxylate?
The InChIKey is OYCBVUBIGQLIAO-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/h1-6,8-11,16,23H,7,12-15,17H2.
What are the key properties of benzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene-9-carboxylate?
benzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene-9-carboxylate has a molecular weight of 364.44 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 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-3-ene-9-carboxylate is sourced from PubChem (CID 90702828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).