N-(3-acetylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

C19H21NO4 — CID 20861421

IUPACN-(3-acetylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2=C(C)C(=O)OC23CCCCC3)c1
InChIInChI=1S/C19H21NO4/c1-12-16(19(24-18(12)23)9-4-3-5-10-19)17(22)20-15-8-6-7-14(11-15)13(2)21/h6-8,11H,3-5,9-10H2,1-2H3,(H,20,22)
InChIKeyRRKTXMKUPBOWIW-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.40
Rot. Bonds3

About N-(3-acetylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

N-(3-acetylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 20861421) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID20861421
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-(3-acetylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2=C(C)C(=O)OC23CCCCC3)c1
InChIInChI=1S/C19H21NO4/c1-12-16(19(24-18(12)23)9-4-3-5-10-19)17(22)20-15-8-6-7-14(11-15)13(2)21/h6-8,11H,3-5,9-10H2,1-2H3,(H,20,22)
InChIKeyRRKTXMKUPBOWIW-UHFFFAOYSA-N
XLogP3.40
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 969392
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N-(3-acetylphenyl)-5-methylfuran-3-carboxamide
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N-(3-acetylphenyl)-2,5-dimethylfuran-3-carboxamide
CID 4057606
N-(3-acetylphenyl)-2-methylfuran-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (CID 20861421) is N-(3-acetylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is CC(=O)c1cccc(NC(=O)C2=C(C)C(=O)OC23CCCCC3)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is RRKTXMKUPBOWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-12-16(19(24-18(12)23)9-4-3-5-10-19)17(22)20-15-8-6-7-14(11-15)13(2)21/h6-8,11H,3-5,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-(3-acetylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
N-(3-acetylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 20861421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).