(2,5-dimethylfuran-3-yl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

C21H28N2O4 — CID 131653487

IUPAC(2,5-dimethylfuran-3-yl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESCc1cc(C(=O)N2CC3(CCC(CN(C)Cc4ccco4)CO3)C2)c(C)o1
InChIInChI=1S/C21H28N2O4/c1-15-9-19(16(2)27-15)20(24)23-13-21(14-23)7-6-17(12-26-21)10-22(3)11-18-5-4-8-25-18/h4-5,8-9,17H,6-7,10-14H2,1-3H3
InChIKeyDNHWSJSMPKFMTL-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.24
Rot. Bonds5

About (2,5-dimethylfuran-3-yl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

(2,5-dimethylfuran-3-yl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 131653487) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
PubChem CID131653487
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name(2,5-dimethylfuran-3-yl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESCc1cc(C(=O)N2CC3(CCC(CN(C)Cc4ccco4)CO3)C2)c(C)o1
InChIInChI=1S/C21H28N2O4/c1-15-9-19(16(2)27-15)20(24)23-13-21(14-23)7-6-17(12-26-21)10-22(3)11-18-5-4-8-25-18/h4-5,8-9,17H,6-7,10-14H2,1-3H3
InChIKeyDNHWSJSMPKFMTL-UHFFFAOYSA-N
XLogP3.24
TPSA59.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,5-dimethylfuran-3-yl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone with MolForge

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Related Compounds

[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 131645479
[(7R)-7-(diethylaminomethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 124788943
(3,3-difluorocyclobutyl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155844142
N-[[(7R)-2-(furan-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide
CID 124783408
8-(cyclopropylmethyl)-2-(2,5-dimethylfuran-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131661365
2-[[furan-2-ylmethyl(methyl)amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide
CID 131663642
1-[2-[[furan-2-ylmethyl(methyl)amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]propan-1-one
CID 131642573
1H-indol-2-yl-[7-[[methyl(pyridin-3-ylmethyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692974
1-[(7R)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(4-methylphenyl)ethanone
CID 124816450
[(7S)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-6-ylmethanone
CID 124815737
[(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(5-methylfuran-2-yl)methanone
CID 97374851
N-(furan-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 16768453

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (CID 131653487) is (2,5-dimethylfuran-3-yl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is Cc1cc(C(=O)N2CC3(CCC(CN(C)Cc4ccco4)CO3)C2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The InChIKey is DNHWSJSMPKFMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-15-9-19(16(2)27-15)20(24)23-13-21(14-23)7-6-17(12-26-21)10-22(3)11-18-5-4-8-25-18/h4-5,8-9,17H,6-7,10-14H2,1-3H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
(2,5-dimethylfuran-3-yl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 131653487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).