2-methyl-N-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)-6-azaspiro[2.5]octan-6-yl]ethyl]furan-3-carboxamide

C20H29N3O3 — CID 75470771

IUPAC2-methyl-N-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)-6-azaspiro[2.5]octan-6-yl]ethyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NCC(=O)N1CCC2(CC1)CC2CN1CCCC1
InChIInChI=1S/C20H29N3O3/c1-15-17(4-11-26-15)19(25)21-13-18(24)23-9-5-20(6-10-23)12-16(20)14-22-7-2-3-8-22/h4,11,16H,2-3,5-10,12-14H2,1H3,(H,21,25)
InChIKeyYGVFCHGXMLXIFU-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.04
Rot. Bonds5

About 2-methyl-N-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)-6-azaspiro[2.5]octan-6-yl]ethyl]furan-3-carboxamide

2-methyl-N-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)-6-azaspiro[2.5]octan-6-yl]ethyl]furan-3-carboxamide (PubChem CID 75470771) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)-6-azaspiro[2.5]octan-6-yl]ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)-6-azaspiro[2.5]octan-6-yl]ethyl]furan-3-carboxamide
PubChem CID75470771
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-methyl-N-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)-6-azaspiro[2.5]octan-6-yl]ethyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NCC(=O)N1CCC2(CC1)CC2CN1CCCC1
InChIInChI=1S/C20H29N3O3/c1-15-17(4-11-26-15)19(25)21-13-18(24)23-9-5-20(6-10-23)12-16(20)14-22-7-2-3-8-22/h4,11,16H,2-3,5-10,12-14H2,1H3,(H,21,25)
InChIKeyYGVFCHGXMLXIFU-UHFFFAOYSA-N
XLogP2.04
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)-6-azaspiro[2.5]octan-6-yl]ethyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)-6-azaspiro[2.5]octan-6-yl]ethyl]furan-3-carboxamide (CID 75470771) is 2-methyl-N-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)-6-azaspiro[2.5]octan-6-yl]ethyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)-6-azaspiro[2.5]octan-6-yl]ethyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)-6-azaspiro[2.5]octan-6-yl]ethyl]furan-3-carboxamide is Cc1occc1C(=O)NCC(=O)N1CCC2(CC1)CC2CN1CCCC1.
What is the InChIKey of 2-methyl-N-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)-6-azaspiro[2.5]octan-6-yl]ethyl]furan-3-carboxamide?
The InChIKey is YGVFCHGXMLXIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15-17(4-11-26-15)19(25)21-13-18(24)23-9-5-20(6-10-23)12-16(20)14-22-7-2-3-8-22/h4,11,16H,2-3,5-10,12-14H2,1H3,(H,21,25).
What are the key properties of 2-methyl-N-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)-6-azaspiro[2.5]octan-6-yl]ethyl]furan-3-carboxamide?
2-methyl-N-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)-6-azaspiro[2.5]octan-6-yl]ethyl]furan-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)-6-azaspiro[2.5]octan-6-yl]ethyl]furan-3-carboxamide is sourced from PubChem (CID 75470771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).