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

C20H34N2O4 — CID 71956178

IUPAC8-methyl-4-(3-methylbutanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCC(C)CC(=O)N1C(C(=O)NCC2CCCO2)COC12CCC(C)CC2
InChIInChI=1S/C20H34N2O4/c1-14(2)11-18(23)22-17(19(24)21-12-16-5-4-10-25-16)13-26-20(22)8-6-15(3)7-9-20/h14-17H,4-13H2,1-3H3,(H,21,24)
InChIKeyVDXHZWBMVNVHSV-UHFFFAOYSA-N
MW366.50 g/mol
LogP2.46
Rot. Bonds5

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

8-methyl-4-(3-methylbutanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (PubChem CID 71956178) has the molecular formula C20H34N2O4 and a molecular weight of 366.50 g/mol. Its IUPAC name is 8-methyl-4-(3-methylbutanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name8-methyl-4-(3-methylbutanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
PubChem CID71956178
Molecular FormulaC20H34N2O4
Molecular Weight366.50 g/mol
Exact Mass366.25
IUPAC Name8-methyl-4-(3-methylbutanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCC(C)CC(=O)N1C(C(=O)NCC2CCCO2)COC12CCC(C)CC2
InChIInChI=1S/C20H34N2O4/c1-14(2)11-18(23)22-17(19(24)21-12-16-5-4-10-25-16)13-26-20(22)8-6-15(3)7-9-20/h14-17H,4-13H2,1-3H3,(H,21,24)
InChIKeyVDXHZWBMVNVHSV-UHFFFAOYSA-N
XLogP2.46
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-methyl-4-(3-methylbutanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-methyl-N-(oxolan-2-ylmethyl)-4-propanoyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71956305
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
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-[3-(cyclohexylmethoxy)-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide
CID 164604076
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-ethylpentoxy)-1-oxobutan-2-yl]acetamide
CID 164604726

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-(3-methylbutanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 8-methyl-4-(3-methylbutanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (CID 71956178) is 8-methyl-4-(3-methylbutanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 8-methyl-4-(3-methylbutanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 8-methyl-4-(3-methylbutanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is CC(C)CC(=O)N1C(C(=O)NCC2CCCO2)COC12CCC(C)CC2.
What is the InChIKey of 8-methyl-4-(3-methylbutanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is VDXHZWBMVNVHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O4/c1-14(2)11-18(23)22-17(19(24)21-12-16-5-4-10-25-16)13-26-20(22)8-6-15(3)7-9-20/h14-17H,4-13H2,1-3H3,(H,21,24).
What are the key properties of 8-methyl-4-(3-methylbutanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
8-methyl-4-(3-methylbutanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 366.50 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-(3-methylbutanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 71956178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).