(2-methylfuran-3-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone

C19H28N2O4 — CID 118743905

IUPAC(2-methylfuran-3-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
SMILESCc1occc1C(=O)N1CCOCC2(CCN(C3CCOCC3)C2)C1
InChIInChI=1S/C19H28N2O4/c1-15-17(4-10-25-15)18(22)21-7-11-24-14-19(13-21)5-6-20(12-19)16-2-8-23-9-3-16/h4,10,16H,2-3,5-9,11-14H2,1H3
InChIKeyMYISTHCMYSLRKQ-UHFFFAOYSA-N
MW348.44 g/mol
LogP1.93
Rot. Bonds2

About (2-methylfuran-3-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone

(2-methylfuran-3-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone (PubChem CID 118743905) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
PubChem CID118743905
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name(2-methylfuran-3-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
SMILESCc1occc1C(=O)N1CCOCC2(CCN(C3CCOCC3)C2)C1
InChIInChI=1S/C19H28N2O4/c1-15-17(4-10-25-15)18(22)21-7-11-24-14-19(13-21)5-6-20(12-19)16-2-8-23-9-3-16/h4,10,16H,2-3,5-9,11-14H2,1H3
InChIKeyMYISTHCMYSLRKQ-UHFFFAOYSA-N
XLogP1.93
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methylfuran-2-yl)-[(5R)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 97472086
(5-methylfuran-2-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone;2,2,2-trifluoroacetic acid
CID 118743875
(5S)-2-(2-methylfuran-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97142794
1-[2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone
CID 97472652
[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 155845274
(2-methylfuran-3-yl)-[2-(pyrazol-1-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone
CID 134079522
(5S)-10-[(3-methylphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472090
(2-methylfuran-3-yl)-[3-(1,2,4-triazol-4-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone
CID 131642931
10-(3-methylthiophen-2-yl)sulfonyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 155875489
(5S)-10-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384859
(5R)-9-(2-methylfuran-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724610
[(4aR,8aR)-4a-(ethoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-(2-methylfuran-3-yl)methanone
CID 97379560

Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?
The IUPAC name of (2-methylfuran-3-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone (CID 118743905) is (2-methylfuran-3-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone.
What is the SMILES notation for (2-methylfuran-3-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?
The canonical SMILES for (2-methylfuran-3-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone is Cc1occc1C(=O)N1CCOCC2(CCN(C3CCOCC3)C2)C1.
What is the InChIKey of (2-methylfuran-3-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?
The InChIKey is MYISTHCMYSLRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-15-17(4-10-25-15)18(22)21-7-11-24-14-19(13-21)5-6-20(12-19)16-2-8-23-9-3-16/h4,10,16H,2-3,5-9,11-14H2,1H3.
What are the key properties of (2-methylfuran-3-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?
(2-methylfuran-3-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone has a molecular weight of 348.44 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone is sourced from PubChem (CID 118743905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).