N-[2-(dimethylamino)ethyl]-2-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C18H35N3O2 — CID 91924860

IUPACN-[2-(dimethylamino)ethyl]-2-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCC(C)CCN1CC(C(=O)NCCN(C)C)C2(CCOCC2)C1
InChIInChI=1S/C18H35N3O2/c1-15(2)5-9-21-13-16(17(22)19-8-10-20(3)4)18(14-21)6-11-23-12-7-18/h15-16H,5-14H2,1-4H3,(H,19,22)
InChIKeyUSKNZFCNUPSESF-UHFFFAOYSA-N
MW325.50 g/mol
LogP1.44
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

N-[2-(dimethylamino)ethyl]-2-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91924860) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91924860
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCC(C)CCN1CC(C(=O)NCCN(C)C)C2(CCOCC2)C1
InChIInChI=1S/C18H35N3O2/c1-15(2)5-9-21-13-16(17(22)19-8-10-20(3)4)18(14-21)6-11-23-12-7-18/h15-16H,5-14H2,1-4H3,(H,19,22)
InChIKeyUSKNZFCNUPSESF-UHFFFAOYSA-N
XLogP1.44
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 51.44
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-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91924860) is N-[2-(dimethylamino)ethyl]-2-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is CC(C)CCN1CC(C(=O)NCCN(C)C)C2(CCOCC2)C1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is USKNZFCNUPSESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-15(2)5-9-21-13-16(17(22)19-8-10-20(3)4)18(14-21)6-11-23-12-7-18/h15-16H,5-14H2,1-4H3,(H,19,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-[2-(dimethylamino)ethyl]-2-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 325.50 g/mol, XLogP of 1.44, 7 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-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91924860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).