N-(furan-2-ylmethyl)-7-(oxane-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C18H23N3O5 — CID 131647013

IUPACN-(furan-2-ylmethyl)-7-(oxane-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESO=C(NCc1ccco1)C1=NOC2(CCN(C(=O)C3CCOCC3)C2)C1
InChIInChI=1S/C18H23N3O5/c22-16(19-11-14-2-1-7-25-14)15-10-18(26-20-15)5-6-21(12-18)17(23)13-3-8-24-9-4-13/h1-2,7,13H,3-6,8-12H2,(H,19,22)
InChIKeyASEDOIATXKNBES-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.07
Rot. Bonds4

About N-(furan-2-ylmethyl)-7-(oxane-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

N-(furan-2-ylmethyl)-7-(oxane-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 131647013) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-7-(oxane-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-7-(oxane-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
PubChem CID131647013
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC NameN-(furan-2-ylmethyl)-7-(oxane-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESO=C(NCc1ccco1)C1=NOC2(CCN(C(=O)C3CCOCC3)C2)C1
InChIInChI=1S/C18H23N3O5/c22-16(19-11-14-2-1-7-25-14)15-10-18(26-20-15)5-6-21(12-18)17(23)13-3-8-24-9-4-13/h1-2,7,13H,3-6,8-12H2,(H,19,22)
InChIKeyASEDOIATXKNBES-UHFFFAOYSA-N
XLogP1.07
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-7-(2-methylpropanoyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131639538
(5S)-N-(furan-2-ylmethyl)-7-(2-pyrrolidin-1-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491622
(3aS,6aS)-N-(furan-2-ylmethyl)-1'-(oxane-4-carbonyl)spiro[3a,5,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-4,4'-piperidine]-3-carboxamide
CID 124793042
(5R)-N-(furan-2-ylmethyl)-7-(pyridin-4-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491587
N-(furan-2-ylmethyl)-7-(pyridin-4-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131655320
(5R)-N-(furan-2-ylmethyl)-7-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491586
(5R)-7-(3-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491608
(5R)-7-[(4-chloro-3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491611
(5S)-7-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 124522018
[(5R)-2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(oxan-4-yl)methanone
CID 97472191
7-N-cyclopentyl-3-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide
CID 131653882
3-N-(oxolan-2-ylmethyl)-7-N-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide
CID 131645622

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-7-(oxane-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-7-(oxane-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 131647013) is N-(furan-2-ylmethyl)-7-(oxane-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-7-(oxane-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-7-(oxane-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is O=C(NCc1ccco1)C1=NOC2(CCN(C(=O)C3CCOCC3)C2)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-7-(oxane-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The InChIKey is ASEDOIATXKNBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c22-16(19-11-14-2-1-7-25-14)15-10-18(26-20-15)5-6-21(12-18)17(23)13-3-8-24-9-4-13/h1-2,7,13H,3-6,8-12H2,(H,19,22).
What are the key properties of N-(furan-2-ylmethyl)-7-(oxane-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
N-(furan-2-ylmethyl)-7-(oxane-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-7-(oxane-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 131647013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).