4-(3,3-dimethylbutanoyl)-8-methyl-N-propan-2-yl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

C19H34N2O3 — CID 24712546

IUPAC4-(3,3-dimethylbutanoyl)-8-methyl-N-propan-2-yl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCC1CCC2(CC1)OCC(C(=O)NC(C)C)N2C(=O)CC(C)(C)C
InChIInChI=1S/C19H34N2O3/c1-13(2)20-17(23)15-12-24-19(9-7-14(3)8-10-19)21(15)16(22)11-18(4,5)6/h13-15H,7-12H2,1-6H3,(H,20,23)
InChIKeyACVZLEQGMDHYKQ-UHFFFAOYSA-N
MW338.49 g/mol
LogP3.08
Rot. Bonds3

About 4-(3,3-dimethylbutanoyl)-8-methyl-N-propan-2-yl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

4-(3,3-dimethylbutanoyl)-8-methyl-N-propan-2-yl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (PubChem CID 24712546) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is 4-(3,3-dimethylbutanoyl)-8-methyl-N-propan-2-yl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name4-(3,3-dimethylbutanoyl)-8-methyl-N-propan-2-yl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
PubChem CID24712546
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC Name4-(3,3-dimethylbutanoyl)-8-methyl-N-propan-2-yl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCC1CCC2(CC1)OCC(C(=O)NC(C)C)N2C(=O)CC(C)(C)C
InChIInChI=1S/C19H34N2O3/c1-13(2)20-17(23)15-12-24-19(9-7-14(3)8-10-19)21(15)16(22)11-18(4,5)6/h13-15H,7-12H2,1-6H3,(H,20,23)
InChIKeyACVZLEQGMDHYKQ-UHFFFAOYSA-N
XLogP3.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-N-(oxolan-2-ylmethyl)-4-propanoyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71956305
4-(cyclopropanecarbonyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 42669897
4-(cyclopentanecarbonyl)-N,8-dimethyl-N-propan-2-yl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 46110641
4-(cyclopentanecarbonyl)-8-methyl-N-(1-methylpiperidin-4-yl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 46110645
7-methyl-4-(3-methylbutanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71819783
8-methyl-4-propanoyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71956171
8-Methyl-N-(propan-2-YL)-4-propanoyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71956174
8-methyl-4-(3-methylbutanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71956178
N-Cyclopropyl-8-methyl-4-(3-methylbutanoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71956309
(3S)-8-methyl-4-propanoyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 97478080
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-ethylpentoxy)-1-oxobutan-2-yl]acetamide
CID 164604726
N-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]acetamide
CID 164604861

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutanoyl)-8-methyl-N-propan-2-yl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 4-(3,3-dimethylbutanoyl)-8-methyl-N-propan-2-yl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (CID 24712546) is 4-(3,3-dimethylbutanoyl)-8-methyl-N-propan-2-yl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 4-(3,3-dimethylbutanoyl)-8-methyl-N-propan-2-yl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 4-(3,3-dimethylbutanoyl)-8-methyl-N-propan-2-yl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is CC1CCC2(CC1)OCC(C(=O)NC(C)C)N2C(=O)CC(C)(C)C.
What is the InChIKey of 4-(3,3-dimethylbutanoyl)-8-methyl-N-propan-2-yl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is ACVZLEQGMDHYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O3/c1-13(2)20-17(23)15-12-24-19(9-7-14(3)8-10-19)21(15)16(22)11-18(4,5)6/h13-15H,7-12H2,1-6H3,(H,20,23).
What are the key properties of 4-(3,3-dimethylbutanoyl)-8-methyl-N-propan-2-yl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
4-(3,3-dimethylbutanoyl)-8-methyl-N-propan-2-yl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 338.49 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutanoyl)-8-methyl-N-propan-2-yl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 24712546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).