N-benzyl-N,3,8-trimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

C20H25NO3 — CID 5308161

IUPACN-benzyl-N,3,8-trimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)N(C)Cc2ccccc2)C2(CCC(C)CC2)OC1=O
InChIInChI=1S/C20H25NO3/c1-14-9-11-20(12-10-14)17(15(2)19(23)24-20)18(22)21(3)13-16-7-5-4-6-8-16/h4-8,14H,9-13H2,1-3H3
InChIKeyGEAPDNHAYKTKGK-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.47
Rot. Bonds3

About N-benzyl-N,3,8-trimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

N-benzyl-N,3,8-trimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 5308161) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-benzyl-N,3,8-trimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,3,8-trimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID5308161
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-benzyl-N,3,8-trimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)N(C)Cc2ccccc2)C2(CCC(C)CC2)OC1=O
InChIInChI=1S/C20H25NO3/c1-14-9-11-20(12-10-14)17(15(2)19(23)24-20)18(22)21(3)13-16-7-5-4-6-8-16/h4-8,14H,9-13H2,1-3H3
InChIKeyGEAPDNHAYKTKGK-UHFFFAOYSA-N
XLogP3.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,3,8-trimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of N-benzyl-N,3,8-trimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (CID 5308161) is N-benzyl-N,3,8-trimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for N-benzyl-N,3,8-trimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for N-benzyl-N,3,8-trimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is CC1=C(C(=O)N(C)Cc2ccccc2)C2(CCC(C)CC2)OC1=O.
What is the InChIKey of N-benzyl-N,3,8-trimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is GEAPDNHAYKTKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-14-9-11-20(12-10-14)17(15(2)19(23)24-20)18(22)21(3)13-16-7-5-4-6-8-16/h4-8,14H,9-13H2,1-3H3.
What are the key properties of N-benzyl-N,3,8-trimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
N-benzyl-N,3,8-trimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 327.42 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,3,8-trimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 5308161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).