benzyl (3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-en-9-yl) carbonate

C22H24N2O4 — CID 69278703

IUPACbenzyl (3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-en-9-yl) carbonate
SMILESO=C(OCc1ccccc1)ON1CCCC2(CC1)CC(c1ccccc1)=NO2
InChIInChI=1S/C22H24N2O4/c25-21(26-17-18-8-3-1-4-9-18)27-24-14-7-12-22(13-15-24)16-20(23-28-22)19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2
InChIKeySJVJFOCIKKBWDC-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.30
Rot. Bonds4

About benzyl (3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-en-9-yl) carbonate

benzyl (3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-en-9-yl) carbonate (PubChem CID 69278703) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is benzyl (3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-en-9-yl) carbonate.

Molecular Properties

Compound Namebenzyl (3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-en-9-yl) carbonate
PubChem CID69278703
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Namebenzyl (3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-en-9-yl) carbonate
SMILESO=C(OCc1ccccc1)ON1CCCC2(CC1)CC(c1ccccc1)=NO2
InChIInChI=1S/C22H24N2O4/c25-21(26-17-18-8-3-1-4-9-18)27-24-14-7-12-22(13-15-24)16-20(23-28-22)19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2
InChIKeySJVJFOCIKKBWDC-UHFFFAOYSA-N
XLogP4.30
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze benzyl (3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-en-9-yl) carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl (3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-en-9-yl) carbonate?
The IUPAC name of benzyl (3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-en-9-yl) carbonate (CID 69278703) is benzyl (3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-en-9-yl) carbonate.
What is the SMILES notation for benzyl (3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-en-9-yl) carbonate?
The canonical SMILES for benzyl (3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-en-9-yl) carbonate is O=C(OCc1ccccc1)ON1CCCC2(CC1)CC(c1ccccc1)=NO2.
What is the InChIKey of benzyl (3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-en-9-yl) carbonate?
The InChIKey is SJVJFOCIKKBWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c25-21(26-17-18-8-3-1-4-9-18)27-24-14-7-12-22(13-15-24)16-20(23-28-22)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-en-9-yl) carbonate?
benzyl (3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-en-9-yl) carbonate has a molecular weight of 380.44 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-2-en-9-yl) carbonate is sourced from PubChem (CID 69278703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).