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

C20H27N3O5 — CID 91335263

IUPACN-benzyl-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESCOCCOCC(=O)N1CCC2(C=C(C(=O)NCc3ccccc3)NO2)CC1
InChIInChI=1S/C20H27N3O5/c1-26-11-12-27-15-18(24)23-9-7-20(8-10-23)13-17(22-28-20)19(25)21-14-16-5-3-2-4-6-16/h2-6,13,22H,7-12,14-15H2,1H3,(H,21,25)
InChIKeyUWTMGXOUPYMFJW-UHFFFAOYSA-N
MW389.45 g/mol
LogP0.75
Rot. Bonds8

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

N-benzyl-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (PubChem CID 91335263) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-benzyl-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
PubChem CID91335263
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC NameN-benzyl-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESCOCCOCC(=O)N1CCC2(C=C(C(=O)NCc3ccccc3)NO2)CC1
InChIInChI=1S/C20H27N3O5/c1-26-11-12-27-15-18(24)23-9-7-20(8-10-23)13-17(22-28-20)19(25)21-14-16-5-3-2-4-6-16/h2-6,13,22H,7-12,14-15H2,1H3,(H,21,25)
InChIKeyUWTMGXOUPYMFJW-UHFFFAOYSA-N
XLogP0.75
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 27452048
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CID 90743922
[3-(Benzylcarbamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] tert-butyl carbonate
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[1-[3-(Benzylcarbamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl]-2-methyl-1-oxopropan-2-yl] acetate
CID 91144084
8-acetyl-N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91249127
[8-[2-(2-methoxyethoxy)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl] N-benzylcarbamate
CID 91319727
N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91488210
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CID 129065422
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The IUPAC name of N-benzyl-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (CID 91335263) is N-benzyl-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.
What is the SMILES notation for N-benzyl-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The canonical SMILES for N-benzyl-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is COCCOCC(=O)N1CCC2(C=C(C(=O)NCc3ccccc3)NO2)CC1.
What is the InChIKey of N-benzyl-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The InChIKey is UWTMGXOUPYMFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-26-11-12-27-15-18(24)23-9-7-20(8-10-23)13-17(22-28-20)19(25)21-14-16-5-3-2-4-6-16/h2-6,13,22H,7-12,14-15H2,1H3,(H,21,25).
What are the key properties of N-benzyl-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
N-benzyl-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide has a molecular weight of 389.45 g/mol, XLogP of 0.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is sourced from PubChem (CID 91335263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).