3,8-dimethyl-N-(3-methylbutyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

C17H27NO3 — CID 6619437

IUPAC3,8-dimethyl-N-(3-methylbutyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)NCCC(C)C)C2(CCC(C)CC2)OC1=O
InChIInChI=1S/C17H27NO3/c1-11(2)7-10-18-15(19)14-13(4)16(20)21-17(14)8-5-12(3)6-9-17/h11-12H,5-10H2,1-4H3,(H,18,19)
InChIKeyVBZNNHBVNYMWFR-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.97
Rot. Bonds4

About 3,8-dimethyl-N-(3-methylbutyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

3,8-dimethyl-N-(3-methylbutyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 6619437) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3,8-dimethyl-N-(3-methylbutyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound Name3,8-dimethyl-N-(3-methylbutyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID6619437
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name3,8-dimethyl-N-(3-methylbutyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)NCCC(C)C)C2(CCC(C)CC2)OC1=O
InChIInChI=1S/C17H27NO3/c1-11(2)7-10-18-15(19)14-13(4)16(20)21-17(14)8-5-12(3)6-9-17/h11-12H,5-10H2,1-4H3,(H,18,19)
InChIKeyVBZNNHBVNYMWFR-UHFFFAOYSA-N
XLogP2.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,8-dimethyl-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 5309002
3,8-dimethyl-2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 20861344
N-butan-2-yl-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 5309811
3,8-dimethyl-N-[2-(4-methylsulfanylphenyl)ethyl]-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 20861366
N-[2-(4-ethoxyphenyl)ethyl]-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 6622238
N-[2-[bis(2-methylpropyl)amino]ethyl]-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 50789696
3-methyl-2-oxo-N-(2-thiophen-2-ylethyl)-1-oxaspiro[4.6]undec-3-ene-4-carboxamide
CID 20910725
N-[2-(azepan-1-yl)ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 20906684
ethyl 4-(3-methoxypropylcarbamoyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
CID 46275328
3-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1-oxaspiro[4.6]undec-3-ene-4-carboxamide
CID 20910721
8-acetyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 20906739
8-ethylsulfonyl-3-methyl-2-oxo-N-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 50789876

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-N-(3-methylbutyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of 3,8-dimethyl-N-(3-methylbutyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (CID 6619437) is 3,8-dimethyl-N-(3-methylbutyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for 3,8-dimethyl-N-(3-methylbutyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for 3,8-dimethyl-N-(3-methylbutyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is CC1=C(C(=O)NCCC(C)C)C2(CCC(C)CC2)OC1=O.
What is the InChIKey of 3,8-dimethyl-N-(3-methylbutyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is VBZNNHBVNYMWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-11(2)7-10-18-15(19)14-13(4)16(20)21-17(14)8-5-12(3)6-9-17/h11-12H,5-10H2,1-4H3,(H,18,19).
What are the key properties of 3,8-dimethyl-N-(3-methylbutyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
3,8-dimethyl-N-(3-methylbutyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-N-(3-methylbutyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 6619437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).