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

C20H34N2O4 — CID 71819783

IUPAC7-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)COC12CCCC(C)C2
InChIInChI=1S/C20H34N2O4/c1-14(2)10-18(23)22-17(19(24)21-12-16-7-5-9-25-16)13-26-20(22)8-4-6-15(3)11-20/h14-17H,4-13H2,1-3H3,(H,21,24)
InChIKeyNHSZKIDWFJUVSD-UHFFFAOYSA-N
MW366.50 g/mol
LogP2.46
Rot. Bonds5

About 7-methyl-4-(3-methylbutanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

7-methyl-4-(3-methylbutanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (PubChem CID 71819783) has the molecular formula C20H34N2O4 and a molecular weight of 366.50 g/mol. Its IUPAC name is 7-methyl-4-(3-methylbutanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name7-methyl-4-(3-methylbutanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
PubChem CID71819783
Molecular FormulaC20H34N2O4
Molecular Weight366.50 g/mol
Exact Mass366.25
IUPAC Name7-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)COC12CCCC(C)C2
InChIInChI=1S/C20H34N2O4/c1-14(2)10-18(23)22-17(19(24)21-12-16-7-5-9-25-16)13-26-20(22)8-4-6-15(3)11-20/h14-17H,4-13H2,1-3H3,(H,21,24)
InChIKeyNHSZKIDWFJUVSD-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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(3-methylbutanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 7-methyl-4-(3-methylbutanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (CID 71819783) is 7-methyl-4-(3-methylbutanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 7-methyl-4-(3-methylbutanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 7-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)COC12CCCC(C)C2.
What is the InChIKey of 7-methyl-4-(3-methylbutanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is NHSZKIDWFJUVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O4/c1-14(2)10-18(23)22-17(19(24)21-12-16-7-5-9-25-16)13-26-20(22)8-4-6-15(3)11-20/h14-17H,4-13H2,1-3H3,(H,21,24).
What are the key properties of 7-methyl-4-(3-methylbutanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
7-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 7-methyl-4-(3-methylbutanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 71819783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).