2-[(5-ethylfuran-2-yl)methyl]-N,N-dimethyl-2,7-diazaspiro[4.5]decane-7-carboxamide

C18H29N3O2 — CID 118739075

IUPAC2-[(5-ethylfuran-2-yl)methyl]-N,N-dimethyl-2,7-diazaspiro[4.5]decane-7-carboxamide
SMILESCCc1ccc(CN2CCC3(CCCN(C(=O)N(C)C)C3)C2)o1
InChIInChI=1S/C18H29N3O2/c1-4-15-6-7-16(23-15)12-20-11-9-18(13-20)8-5-10-21(14-18)17(22)19(2)3/h6-7H,4-5,8-14H2,1-3H3
InChIKeyUUBRXIVEFUSTOV-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.81
Rot. Bonds3

About 2-[(5-ethylfuran-2-yl)methyl]-N,N-dimethyl-2,7-diazaspiro[4.5]decane-7-carboxamide

2-[(5-ethylfuran-2-yl)methyl]-N,N-dimethyl-2,7-diazaspiro[4.5]decane-7-carboxamide (PubChem CID 118739075) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[(5-ethylfuran-2-yl)methyl]-N,N-dimethyl-2,7-diazaspiro[4.5]decane-7-carboxamide.

Molecular Properties

Compound Name2-[(5-ethylfuran-2-yl)methyl]-N,N-dimethyl-2,7-diazaspiro[4.5]decane-7-carboxamide
PubChem CID118739075
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2-[(5-ethylfuran-2-yl)methyl]-N,N-dimethyl-2,7-diazaspiro[4.5]decane-7-carboxamide
SMILESCCc1ccc(CN2CCC3(CCCN(C(=O)N(C)C)C3)C2)o1
InChIInChI=1S/C18H29N3O2/c1-4-15-6-7-16(23-15)12-20-11-9-18(13-20)8-5-10-21(14-18)17(22)19(2)3/h6-7H,4-5,8-14H2,1-3H3
InChIKeyUUBRXIVEFUSTOV-UHFFFAOYSA-N
XLogP2.81
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylfuran-2-yl)methyl]-N,N-dimethyl-2,7-diazaspiro[4.5]decane-7-carboxamide?
The IUPAC name of 2-[(5-ethylfuran-2-yl)methyl]-N,N-dimethyl-2,7-diazaspiro[4.5]decane-7-carboxamide (CID 118739075) is 2-[(5-ethylfuran-2-yl)methyl]-N,N-dimethyl-2,7-diazaspiro[4.5]decane-7-carboxamide.
What is the SMILES notation for 2-[(5-ethylfuran-2-yl)methyl]-N,N-dimethyl-2,7-diazaspiro[4.5]decane-7-carboxamide?
The canonical SMILES for 2-[(5-ethylfuran-2-yl)methyl]-N,N-dimethyl-2,7-diazaspiro[4.5]decane-7-carboxamide is CCc1ccc(CN2CCC3(CCCN(C(=O)N(C)C)C3)C2)o1.
What is the InChIKey of 2-[(5-ethylfuran-2-yl)methyl]-N,N-dimethyl-2,7-diazaspiro[4.5]decane-7-carboxamide?
The InChIKey is UUBRXIVEFUSTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-4-15-6-7-16(23-15)12-20-11-9-18(13-20)8-5-10-21(14-18)17(22)19(2)3/h6-7H,4-5,8-14H2,1-3H3.
What are the key properties of 2-[(5-ethylfuran-2-yl)methyl]-N,N-dimethyl-2,7-diazaspiro[4.5]decane-7-carboxamide?
2-[(5-ethylfuran-2-yl)methyl]-N,N-dimethyl-2,7-diazaspiro[4.5]decane-7-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylfuran-2-yl)methyl]-N,N-dimethyl-2,7-diazaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 118739075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).