8-methyl-N-(oxolan-2-ylmethyl)-4-propanoyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

C18H30N2O4 — CID 71956305

IUPAC8-methyl-N-(oxolan-2-ylmethyl)-4-propanoyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCCC(=O)N1C(C(=O)NCC2CCCO2)COC12CCC(C)CC2
InChIInChI=1S/C18H30N2O4/c1-3-16(21)20-15(17(22)19-11-14-5-4-10-23-14)12-24-18(20)8-6-13(2)7-9-18/h13-15H,3-12H2,1-2H3,(H,19,22)
InChIKeyFTNQVKAMSGSEJV-UHFFFAOYSA-N
MW338.45 g/mol
LogP1.83
Rot. Bonds4

About 8-methyl-N-(oxolan-2-ylmethyl)-4-propanoyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

8-methyl-N-(oxolan-2-ylmethyl)-4-propanoyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (PubChem CID 71956305) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is 8-methyl-N-(oxolan-2-ylmethyl)-4-propanoyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name8-methyl-N-(oxolan-2-ylmethyl)-4-propanoyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
PubChem CID71956305
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name8-methyl-N-(oxolan-2-ylmethyl)-4-propanoyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCCC(=O)N1C(C(=O)NCC2CCCO2)COC12CCC(C)CC2
InChIInChI=1S/C18H30N2O4/c1-3-16(21)20-15(17(22)19-11-14-5-4-10-23-14)12-24-18(20)8-6-13(2)7-9-18/h13-15H,3-12H2,1-2H3,(H,19,22)
InChIKeyFTNQVKAMSGSEJV-UHFFFAOYSA-N
XLogP1.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-(3,3-dimethylbutanoyl)-8-methyl-N-propan-2-yl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 24712546
4-(cyclopropanecarbonyl)-7-methyl-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 46140808
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]acetamide
CID 170755642
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]-2-methylpropanamide
CID 171594047
(3S)-4-(cyclopropanecarbonyl)-8-methyl-N-propan-2-yl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 8064850
(3R)-4-(cyclopropanecarbonyl)-8-methyl-N-propan-2-yl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 8064851

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(oxolan-2-ylmethyl)-4-propanoyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 8-methyl-N-(oxolan-2-ylmethyl)-4-propanoyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (CID 71956305) is 8-methyl-N-(oxolan-2-ylmethyl)-4-propanoyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 8-methyl-N-(oxolan-2-ylmethyl)-4-propanoyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 8-methyl-N-(oxolan-2-ylmethyl)-4-propanoyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is CCC(=O)N1C(C(=O)NCC2CCCO2)COC12CCC(C)CC2.
What is the InChIKey of 8-methyl-N-(oxolan-2-ylmethyl)-4-propanoyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is FTNQVKAMSGSEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-3-16(21)20-15(17(22)19-11-14-5-4-10-23-14)12-24-18(20)8-6-13(2)7-9-18/h13-15H,3-12H2,1-2H3,(H,19,22).
What are the key properties of 8-methyl-N-(oxolan-2-ylmethyl)-4-propanoyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
8-methyl-N-(oxolan-2-ylmethyl)-4-propanoyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(oxolan-2-ylmethyl)-4-propanoyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 71956305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).