N-benzyl-8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

C24H27N3O4 — CID 90743922

IUPACN-benzyl-8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESO=C(NCc1ccccc1)C1=CC2(CCN(C(=O)COCc3ccccc3)CC2)ON1
InChIInChI=1S/C24H27N3O4/c28-22(18-30-17-20-9-5-2-6-10-20)27-13-11-24(12-14-27)15-21(26-31-24)23(29)25-16-19-7-3-1-4-8-19/h1-10,15,26H,11-14,16-18H2,(H,25,29)
InChIKeyZUUPNQWPOITKMY-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.30
Rot. Bonds7

About N-benzyl-8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

N-benzyl-8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (PubChem CID 90743922) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-benzyl-8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
PubChem CID90743922
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC NameN-benzyl-8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESO=C(NCc1ccccc1)C1=CC2(CCN(C(=O)COCc3ccccc3)CC2)ON1
InChIInChI=1S/C24H27N3O4/c28-22(18-30-17-20-9-5-2-6-10-20)27-13-11-24(12-14-27)15-21(26-31-24)23(29)25-16-19-7-3-1-4-8-19/h1-10,15,26H,11-14,16-18H2,(H,25,29)
InChIKeyZUUPNQWPOITKMY-UHFFFAOYSA-N
XLogP2.30
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The IUPAC name of N-benzyl-8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (CID 90743922) is N-benzyl-8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.
What is the SMILES notation for N-benzyl-8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The canonical SMILES for N-benzyl-8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is O=C(NCc1ccccc1)C1=CC2(CCN(C(=O)COCc3ccccc3)CC2)ON1.
What is the InChIKey of N-benzyl-8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The InChIKey is ZUUPNQWPOITKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c28-22(18-30-17-20-9-5-2-6-10-20)27-13-11-24(12-14-27)15-21(26-31-24)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 N-benzyl-8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
N-benzyl-8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-8-(2-phenylmethoxyacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is sourced from PubChem (CID 90743922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).