N-[2-(dimethylamino)ethyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C16H29N3O3 — CID 91924859

IUPACN-[2-(dimethylamino)ethyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCCC(=O)N1CC(C(=O)NCCN(C)C)C2(CCOCC2)C1
InChIInChI=1S/C16H29N3O3/c1-4-14(20)19-11-13(15(21)17-7-8-18(2)3)16(12-19)5-9-22-10-6-16/h13H,4-12H2,1-3H3,(H,17,21)
InChIKeyLYQIJPLBNKDHOE-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.33
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

N-[2-(dimethylamino)ethyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91924859) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91924859
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC NameN-[2-(dimethylamino)ethyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCCC(=O)N1CC(C(=O)NCCN(C)C)C2(CCOCC2)C1
InChIInChI=1S/C16H29N3O3/c1-4-14(20)19-11-13(15(21)17-7-8-18(2)3)16(12-19)5-9-22-10-6-16/h13H,4-12H2,1-3H3,(H,17,21)
InChIKeyLYQIJPLBNKDHOE-UHFFFAOYSA-N
XLogP0.33
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91924859) is N-[2-(dimethylamino)ethyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is CCC(=O)N1CC(C(=O)NCCN(C)C)C2(CCOCC2)C1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is LYQIJPLBNKDHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-4-14(20)19-11-13(15(21)17-7-8-18(2)3)16(12-19)5-9-22-10-6-16/h13H,4-12H2,1-3H3,(H,17,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-[2-(dimethylamino)ethyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91924859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).