[(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(5-methylfuran-2-yl)methanone

C20H26N2O3 — CID 97374851

IUPAC[(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC3(CC[C@@H]3N(C)Cc3ccco3)CC2)o1
InChIInChI=1S/C20H26N2O3/c1-15-5-6-17(25-15)19(23)22-11-9-20(10-12-22)8-7-18(20)21(2)14-16-4-3-13-24-16/h3-6,13,18H,7-12,14H2,1-2H3/t18-/m0/s1
InChIKeyMVPQXXUPMJQDTA-SFHVURJKSA-N
MW342.44 g/mol
LogP3.70
Rot. Bonds4

About [(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(5-methylfuran-2-yl)methanone

[(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(5-methylfuran-2-yl)methanone (PubChem CID 97374851) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is [(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(5-methylfuran-2-yl)methanone
PubChem CID97374851
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name[(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC3(CC[C@@H]3N(C)Cc3ccco3)CC2)o1
InChIInChI=1S/C20H26N2O3/c1-15-5-6-17(25-15)19(23)22-11-9-20(10-12-22)8-7-18(20)21(2)14-16-4-3-13-24-16/h3-6,13,18H,7-12,14H2,1-2H3/t18-/m0/s1
InChIKeyMVPQXXUPMJQDTA-SFHVURJKSA-N
XLogP3.70
TPSA49.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone
CID 97374844
(3R)-7-cyclopropylsulfonyl-N-(furan-2-ylmethyl)-N-methyl-7-azaspiro[3.5]nonan-3-amine
CID 97374863
[(4aS,8R,8aS)-8-[furan-2-ylmethyl(methyl)amino]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(5-methylfuran-2-yl)methanone
CID 97379870
(5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 125215989
furan-2-yl-[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155833282
N-[(3S)-7-(5-methylfuran-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
CID 97374923
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 131662070
(4-bromopiperidin-1-yl)-(5-methylfuran-2-yl)methanone
CID 80661568
[(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone
CID 97450634
[(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone
CID 97450643
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone
CID 131640830
[2-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155840655

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(5-methylfuran-2-yl)methanone?
The IUPAC name of [(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(5-methylfuran-2-yl)methanone (CID 97374851) is [(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for [(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(5-methylfuran-2-yl)methanone?
The canonical SMILES for [(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(5-methylfuran-2-yl)methanone is Cc1ccc(C(=O)N2CCC3(CC[C@@H]3N(C)Cc3ccco3)CC2)o1.
What is the InChIKey of [(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(5-methylfuran-2-yl)methanone?
The InChIKey is MVPQXXUPMJQDTA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15-5-6-17(25-15)19(23)22-11-9-20(10-12-22)8-7-18(20)21(2)14-16-4-3-13-24-16/h3-6,13,18H,7-12,14H2,1-2H3/t18-/m0/s1.
What are the key properties of [(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(5-methylfuran-2-yl)methanone?
[(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(5-methylfuran-2-yl)methanone has a molecular weight of 342.44 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 97374851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).