[5-(diethylaminomethyl)-2-methylfuran-3-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone

C20H33N3O2 — CID 50979174

IUPAC[5-(diethylaminomethyl)-2-methylfuran-3-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
SMILESCCN(CC)Cc1cc(C(=O)N2CCC3(CCN(C)CC3)C2)c(C)o1
InChIInChI=1S/C20H33N3O2/c1-5-22(6-2)14-17-13-18(16(3)25-17)19(24)23-12-9-20(15-23)7-10-21(4)11-8-20/h13H,5-12,14-15H2,1-4H3
InChIKeyPFJWEFMYSFGWKJ-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.99
Rot. Bonds5

About [5-(diethylaminomethyl)-2-methylfuran-3-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone

[5-(diethylaminomethyl)-2-methylfuran-3-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone (PubChem CID 50979174) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is [5-(diethylaminomethyl)-2-methylfuran-3-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone.

Molecular Properties

Compound Name[5-(diethylaminomethyl)-2-methylfuran-3-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
PubChem CID50979174
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name[5-(diethylaminomethyl)-2-methylfuran-3-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
SMILESCCN(CC)Cc1cc(C(=O)N2CCC3(CCN(C)CC3)C2)c(C)o1
InChIInChI=1S/C20H33N3O2/c1-5-22(6-2)14-17-13-18(16(3)25-17)19(24)23-12-9-20(15-23)7-10-21(4)11-8-20/h13H,5-12,14-15H2,1-4H3
InChIKeyPFJWEFMYSFGWKJ-UHFFFAOYSA-N
XLogP2.99
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-(diethylaminomethyl)-2-methylfuran-3-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(diethylaminomethyl)-2-methylfuran-3-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
The IUPAC name of [5-(diethylaminomethyl)-2-methylfuran-3-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone (CID 50979174) is [5-(diethylaminomethyl)-2-methylfuran-3-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone.
What is the SMILES notation for [5-(diethylaminomethyl)-2-methylfuran-3-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
The canonical SMILES for [5-(diethylaminomethyl)-2-methylfuran-3-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone is CCN(CC)Cc1cc(C(=O)N2CCC3(CCN(C)CC3)C2)c(C)o1.
What is the InChIKey of [5-(diethylaminomethyl)-2-methylfuran-3-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
The InChIKey is PFJWEFMYSFGWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-5-22(6-2)14-17-13-18(16(3)25-17)19(24)23-12-9-20(15-23)7-10-21(4)11-8-20/h13H,5-12,14-15H2,1-4H3.
What are the key properties of [5-(diethylaminomethyl)-2-methylfuran-3-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
[5-(diethylaminomethyl)-2-methylfuran-3-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone has a molecular weight of 347.50 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(diethylaminomethyl)-2-methylfuran-3-yl]-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone is sourced from PubChem (CID 50979174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).