N-butan-2-yl-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

C16H25NO3 — CID 5309811

IUPACN-butan-2-yl-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCC(C)NC(=O)C1=C(C)C(=O)OC12CCC(C)CC2
InChIInChI=1S/C16H25NO3/c1-5-11(3)17-14(18)13-12(4)15(19)20-16(13)8-6-10(2)7-9-16/h10-11H,5-9H2,1-4H3,(H,17,18)
InChIKeyGQCQSKSVHJCCJF-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.72
Rot. Bonds3

About N-butan-2-yl-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

N-butan-2-yl-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 5309811) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-butan-2-yl-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID5309811
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-butan-2-yl-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCC(C)NC(=O)C1=C(C)C(=O)OC12CCC(C)CC2
InChIInChI=1S/C16H25NO3/c1-5-11(3)17-14(18)13-12(4)15(19)20-16(13)8-6-10(2)7-9-16/h10-11H,5-9H2,1-4H3,(H,17,18)
InChIKeyGQCQSKSVHJCCJF-UHFFFAOYSA-N
XLogP2.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.72
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-[2-(azepan-1-yl)ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 20906684
(3S)-N-[(2R)-butan-2-yl]-4-(3-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 93144489
N-butan-2-yl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46521885
N-butan-2-yl-8-methyl-4-[2-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71955937
N-[(2R)-butan-2-yl]-2,3,4,5,6-pentamethylbenzamide
CID 95358520
ethyl 3-(butan-2-ylamino)-2-methyloxolane-3-carboxylate
CID 82718161
N-butan-2-yl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145402
N-[(2S)-butan-2-yl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 11940450
N-[(2R)-butan-2-yl]-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 11940451
ethyl 1-(8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carbonyl)piperidine-4-carboxylate
CID 50789892

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of N-butan-2-yl-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (CID 5309811) is N-butan-2-yl-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for N-butan-2-yl-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is CCC(C)NC(=O)C1=C(C)C(=O)OC12CCC(C)CC2.
What is the InChIKey of N-butan-2-yl-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is GQCQSKSVHJCCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-11(3)17-14(18)13-12(4)15(19)20-16(13)8-6-10(2)7-9-16/h10-11H,5-9H2,1-4H3,(H,17,18).
What are the key properties of N-butan-2-yl-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
N-butan-2-yl-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 5309811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).