2-(2-methoxyacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

C12H21N3O4 — CID 131693051

IUPAC2-(2-methoxyacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
SMILESCNC(=O)C1COC2(CN(C(=O)COC)C2)CN1C
InChIInChI=1S/C12H21N3O4/c1-13-11(17)9-4-19-12(6-14(9)2)7-15(8-12)10(16)5-18-3/h9H,4-8H2,1-3H3,(H,13,17)
InChIKeyDJPBCJZPUYLARC-UHFFFAOYSA-N
MW271.32 g/mol
LogP-1.71
Rot. Bonds3

About 2-(2-methoxyacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

2-(2-methoxyacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 131693051) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(2-methoxyacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID131693051
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-(2-methoxyacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
SMILESCNC(=O)C1COC2(CN(C(=O)COC)C2)CN1C
InChIInChI=1S/C12H21N3O4/c1-13-11(17)9-4-19-12(6-14(9)2)7-15(8-12)10(16)5-18-3/h9H,4-8H2,1-3H3,(H,13,17)
InChIKeyDJPBCJZPUYLARC-UHFFFAOYSA-N
XLogP-1.71
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-1.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of 2-(2-methoxyacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (CID 131693051) is 2-(2-methoxyacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for 2-(2-methoxyacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for 2-(2-methoxyacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is CNC(=O)C1COC2(CN(C(=O)COC)C2)CN1C.
What is the InChIKey of 2-(2-methoxyacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is DJPBCJZPUYLARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-13-11(17)9-4-19-12(6-14(9)2)7-15(8-12)10(16)5-18-3/h9H,4-8H2,1-3H3,(H,13,17).
What are the key properties of 2-(2-methoxyacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
2-(2-methoxyacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 271.32 g/mol, XLogP of -1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 131693051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).