[8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-benzylcarbamate

C24H27N3O5 — CID 91507770

IUPAC[8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OC1=CC2(CCN(C(=O)COCc3ccccc3)CC2)ON1
InChIInChI=1S/C24H27N3O5/c28-22(18-30-17-20-9-5-2-6-10-20)27-13-11-24(12-14-27)15-21(26-32-24)31-23(29)25-16-19-7-3-1-4-8-19/h1-10,15,26H,11-14,16-18H2,(H,25,29)
InChIKeyNFLBVPLOEHUFMI-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.87
Rot. Bonds7

About [8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-benzylcarbamate

[8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-benzylcarbamate (PubChem CID 91507770) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is [8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-benzylcarbamate.

Molecular Properties

Compound Name[8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-benzylcarbamate
PubChem CID91507770
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Name[8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OC1=CC2(CCN(C(=O)COCc3ccccc3)CC2)ON1
InChIInChI=1S/C24H27N3O5/c28-22(18-30-17-20-9-5-2-6-10-20)27-13-11-24(12-14-27)15-21(26-32-24)31-23(29)25-16-19-7-3-1-4-8-19/h1-10,15,26H,11-14,16-18H2,(H,25,29)
InChIKeyNFLBVPLOEHUFMI-UHFFFAOYSA-N
XLogP2.87
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-benzylcarbamate with MolForge

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Related Compounds

3-(2-Morpholin-4-yl-2-oxoethyl)-4,5-diphenyl-1,3-oxazol-2-one
CID 42631037
Benzyl 3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 16069982
5-(benzyloxy)-N-(1-benzylpiperidin-4-yl)-4-oxo-4H-pyran-2-carboxamide
CID 42227002
2-(4-fluorobenzyloxy)-N-(2-(1-benzylpiperidin-4-yl)ethyl)acetamide
CID 58756703
3-[(2-Fluorophenyl)methyl]-8-(2-phenylmethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66902067
[4-phenyl-1-(2-phenylmethoxyacetyl)piperidin-4-yl] N-[(3,4-difluorophenyl)methyl]carbamate
CID 71134023
N-benzyl-5-(benzyloxy)-4-oxo-4H-pyran-2-carboxamide
CID 42226908
Benzyl 2-oxo-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
CID 13016612
Benzyl 3-benzyl-4-methylidene-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
CID 19814258
2-[[6-[(Phenylmethoxy)methyl]-4-(phenylmethyl)-2-morpholinyl]methoxy]-N,N-dipropylacetamide
CID 20289411
Ethyl 1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate
CID 20753278
N-(2-aminoethyl)-1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxamide
CID 59303461

Frequently Asked Questions

What is the IUPAC name of [8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-benzylcarbamate?
The IUPAC name of [8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-benzylcarbamate (CID 91507770) is [8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-benzylcarbamate.
What is the SMILES notation for [8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-benzylcarbamate?
The canonical SMILES for [8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-benzylcarbamate is O=C(NCc1ccccc1)OC1=CC2(CCN(C(=O)COCc3ccccc3)CC2)ON1.
What is the InChIKey of [8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-benzylcarbamate?
The InChIKey is NFLBVPLOEHUFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c28-22(18-30-17-20-9-5-2-6-10-20)27-13-11-24(12-14-27)15-21(26-32-24)31-23(29)25-16-19-7-3-1-4-8-19/h1-10,15,26H,11-14,16-18H2,(H,25,29).
What are the key properties of [8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-benzylcarbamate?
[8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-benzylcarbamate has a molecular weight of 437.50 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-benzylcarbamate is sourced from PubChem (CID 91507770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).