(3R)-8-(1,3-benzodioxole-5-carbonyl)-4-(furan-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

C26H29N3O8 — CID 93138236

IUPAC(3R)-8-(1,3-benzodioxole-5-carbonyl)-4-(furan-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)[C@H]1COC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N1C(=O)c1ccco1
InChIInChI=1S/C26H29N3O8/c30-23(27-14-18-3-1-11-33-18)19-15-37-26(29(19)25(32)21-4-2-12-34-21)7-9-28(10-8-26)24(31)17-5-6-20-22(13-17)36-16-35-20/h2,4-6,12-13,18-19H,1,3,7-11,14-16H2,(H,27,30)/t18-,19+/m0/s1
InChIKeyNZKQYMXEFGNJTF-RBUKOAKNSA-N
MW511.53 g/mol
LogP1.78
Rot. Bonds5

About (3R)-8-(1,3-benzodioxole-5-carbonyl)-4-(furan-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-8-(1,3-benzodioxole-5-carbonyl)-4-(furan-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 93138236) has the molecular formula C26H29N3O8 and a molecular weight of 511.53 g/mol. Its IUPAC name is (3R)-8-(1,3-benzodioxole-5-carbonyl)-4-(furan-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-8-(1,3-benzodioxole-5-carbonyl)-4-(furan-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID93138236
Molecular FormulaC26H29N3O8
Molecular Weight511.53 g/mol
Exact Mass511.20
IUPAC Name(3R)-8-(1,3-benzodioxole-5-carbonyl)-4-(furan-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)[C@H]1COC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N1C(=O)c1ccco1
InChIInChI=1S/C26H29N3O8/c30-23(27-14-18-3-1-11-33-18)19-15-37-26(29(19)25(32)21-4-2-12-34-21)7-9-28(10-8-26)24(31)17-5-6-20-22(13-17)36-16-35-20/h2,4-6,12-13,18-19H,1,3,7-11,14-16H2,(H,27,30)/t18-,19+/m0/s1
InChIKeyNZKQYMXEFGNJTF-RBUKOAKNSA-N
XLogP1.78
TPSA119.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.53
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3R)-8-(1,3-benzodioxole-5-carbonyl)-4-(furan-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-8-(1,3-benzodioxole-5-carbonyl)-4-(furan-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-8-(1,3-benzodioxole-5-carbonyl)-4-(furan-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 93138236) is (3R)-8-(1,3-benzodioxole-5-carbonyl)-4-(furan-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-8-(1,3-benzodioxole-5-carbonyl)-4-(furan-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-8-(1,3-benzodioxole-5-carbonyl)-4-(furan-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is O=C(NC[C@@H]1CCCO1)[C@H]1COC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N1C(=O)c1ccco1.
What is the InChIKey of (3R)-8-(1,3-benzodioxole-5-carbonyl)-4-(furan-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is NZKQYMXEFGNJTF-RBUKOAKNSA-N. The full InChI is InChI=1S/C26H29N3O8/c30-23(27-14-18-3-1-11-33-18)19-15-37-26(29(19)25(32)21-4-2-12-34-21)7-9-28(10-8-26)24(31)17-5-6-20-22(13-17)36-16-35-20/h2,4-6,12-13,18-19H,1,3,7-11,14-16H2,(H,27,30)/t18-,19+/m0/s1.
What are the key properties of (3R)-8-(1,3-benzodioxole-5-carbonyl)-4-(furan-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-8-(1,3-benzodioxole-5-carbonyl)-4-(furan-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 511.53 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-(1,3-benzodioxole-5-carbonyl)-4-(furan-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 93138236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).