N-propan-2-yl-2-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C17H29N3O3 — CID 118741201

IUPACN-propan-2-yl-2-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCC(C)NC(=O)C1CN(C(=O)N2CCCC2)CC12CCOCC2
InChIInChI=1S/C17H29N3O3/c1-13(2)18-15(21)14-11-20(16(22)19-7-3-4-8-19)12-17(14)5-9-23-10-6-17/h13-14H,3-12H2,1-2H3,(H,18,21)
InChIKeyDJSHJIKOSIDXLO-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.46
Rot. Bonds2

About N-propan-2-yl-2-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

N-propan-2-yl-2-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 118741201) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-propan-2-yl-2-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID118741201
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC NameN-propan-2-yl-2-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCC(C)NC(=O)C1CN(C(=O)N2CCCC2)CC12CCOCC2
InChIInChI=1S/C17H29N3O3/c1-13(2)18-15(21)14-11-20(16(22)19-7-3-4-8-19)12-17(14)5-9-23-10-6-17/h13-14H,3-12H2,1-2H3,(H,18,21)
InChIKeyDJSHJIKOSIDXLO-UHFFFAOYSA-N
XLogP1.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-propan-2-yl-2-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 118741201) is N-propan-2-yl-2-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-propan-2-yl-2-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is CC(C)NC(=O)C1CN(C(=O)N2CCCC2)CC12CCOCC2.
What is the InChIKey of N-propan-2-yl-2-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is DJSHJIKOSIDXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-13(2)18-15(21)14-11-20(16(22)19-7-3-4-8-19)12-17(14)5-9-23-10-6-17/h13-14H,3-12H2,1-2H3,(H,18,21).
What are the key properties of N-propan-2-yl-2-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-propan-2-yl-2-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 118741201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).