N-[[(2S)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dimethylbenzamide

C23H28N2O4 — CID 42237886

IUPACN-[[(2S)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC[C@@H]2CCC3(CCN(C(=O)c4ccoc4)CC3)O2)cc1C
InChIInChI=1S/C23H28N2O4/c1-16-3-4-18(13-17(16)2)21(26)24-14-20-5-7-23(29-20)8-10-25(11-9-23)22(27)19-6-12-28-15-19/h3-4,6,12-13,15,20H,5,7-11,14H2,1-2H3,(H,24,26)/t20-/m0/s1
InChIKeyXSEABPTVMNYSPZ-FQEVSTJZSA-N
MW396.49 g/mol
LogP3.48
Rot. Bonds4

About N-[[(2S)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dimethylbenzamide

N-[[(2S)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dimethylbenzamide (PubChem CID 42237886) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[[(2S)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[[(2S)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dimethylbenzamide
PubChem CID42237886
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[[(2S)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC[C@@H]2CCC3(CCN(C(=O)c4ccoc4)CC3)O2)cc1C
InChIInChI=1S/C23H28N2O4/c1-16-3-4-18(13-17(16)2)21(26)24-14-20-5-7-23(29-20)8-10-25(11-9-23)22(27)19-6-12-28-15-19/h3-4,6,12-13,15,20H,5,7-11,14H2,1-2H3,(H,24,26)/t20-/m0/s1
InChIKeyXSEABPTVMNYSPZ-FQEVSTJZSA-N
XLogP3.48
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(2S)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dimethylbenzamide with MolForge

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Related Compounds

N-[[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylbenzamide
CID 45182506
3-fluoro-4-methoxy-N-[[8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 126467613
(2S)-N-(cyclopropylmethyl)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97383821
3-methyl-N-[[(2R)-8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 42167479
N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2,4-dimethoxybenzamide
CID 45173149
5-ethyl-N-[[(2R)-8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42211888
2-(dimethylamino)-N-[[8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 56852446
1-(3,4-dimethylphenyl)-4-[4-(furan-3-carbonyl)piperazin-1-yl]butane-1,4-dione
CID 32533921
4-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521806
1-(4-fluorobenzoyl)-N-(5-oxaspiro[3.4]octan-6-ylmethyl)piperidine-4-carboxamide
CID 167754057
N-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 42440769
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-4-nitrobenzamide
CID 90521763

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[[(2S)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dimethylbenzamide (CID 42237886) is N-[[(2S)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[[(2S)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[[(2S)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NC[C@@H]2CCC3(CCN(C(=O)c4ccoc4)CC3)O2)cc1C.
What is the InChIKey of N-[[(2S)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dimethylbenzamide?
The InChIKey is XSEABPTVMNYSPZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16-3-4-18(13-17(16)2)21(26)24-14-20-5-7-23(29-20)8-10-25(11-9-23)22(27)19-6-12-28-15-19/h3-4,6,12-13,15,20H,5,7-11,14H2,1-2H3,(H,24,26)/t20-/m0/s1.
What are the key properties of N-[[(2S)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dimethylbenzamide?
N-[[(2S)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dimethylbenzamide has a molecular weight of 396.49 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 42237886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).