N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide

C20H24N2O6 — CID 42779610

IUPACN-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide
SMILESO=C(CCN(Cc1ccco1)C(=O)c1ccoc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C20H24N2O6/c23-18(21-8-5-20(6-9-21)27-12-13-28-20)3-7-22(14-17-2-1-10-26-17)19(24)16-4-11-25-15-16/h1-2,4,10-11,15H,3,5-9,12-14H2
InChIKeyJZXRFBIDPXWQJQ-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.27
Rot. Bonds6

About N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide

N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide (PubChem CID 42779610) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide
PubChem CID42779610
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC NameN-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide
SMILESO=C(CCN(Cc1ccco1)C(=O)c1ccoc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C20H24N2O6/c23-18(21-8-5-20(6-9-21)27-12-13-28-20)3-7-22(14-17-2-1-10-26-17)19(24)16-4-11-25-15-16/h1-2,4,10-11,15H,3,5-9,12-14H2
InChIKeyJZXRFBIDPXWQJQ-UHFFFAOYSA-N
XLogP2.27
TPSA85.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-N-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]furan-3-carboxamide
CID 1030422
N-[3-(butylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide
CID 42779623
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)acetamide
CID 113118002
3-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide
CID 42703548
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide
CID 1030756
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethyl-N-(furan-2-ylmethyl)benzamide
CID 42703534
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-bromo-N-(furan-2-ylmethyl)benzamide
CID 42703531
N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-propylfuran-3-carboxamide
CID 7482407
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113120592
N-benzyl-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]furan-3-carboxamide
CID 1030764
3-(N-benzylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 109028432
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-2-chloro-N-(furan-2-ylmethyl)benzamide
CID 42699590

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide?
The IUPAC name of N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide (CID 42779610) is N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide?
The canonical SMILES for N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide is O=C(CCN(Cc1ccco1)C(=O)c1ccoc1)N1CCC2(CC1)OCCO2.
What is the InChIKey of N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide?
The InChIKey is JZXRFBIDPXWQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6/c23-18(21-8-5-20(6-9-21)27-12-13-28-20)3-7-22(14-17-2-1-10-26-17)19(24)16-4-11-25-15-16/h1-2,4,10-11,15H,3,5-9,12-14H2.
What are the key properties of N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide?
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 42779610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).