N-[[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylbenzamide

C22H26N2O4 — CID 45182506

IUPACN-[[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC1CCC2(CCN(C(=O)c3ccoc3)CC2)O1
InChIInChI=1S/C22H26N2O4/c1-16-4-2-3-5-19(16)20(25)23-14-18-6-8-22(28-18)9-11-24(12-10-22)21(26)17-7-13-27-15-17/h2-5,7,13,15,18H,6,8-12,14H2,1H3,(H,23,25)
InChIKeyLANRJFPBEHYRBW-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.17
Rot. Bonds4

About N-[[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylbenzamide

N-[[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylbenzamide (PubChem CID 45182506) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylbenzamide
PubChem CID45182506
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC1CCC2(CCN(C(=O)c3ccoc3)CC2)O1
InChIInChI=1S/C22H26N2O4/c1-16-4-2-3-5-19(16)20(25)23-14-18-6-8-22(28-18)9-11-24(12-10-22)21(26)17-7-13-27-15-17/h2-5,7,13,15,18H,6,8-12,14H2,1H3,(H,23,25)
InChIKeyLANRJFPBEHYRBW-UHFFFAOYSA-N
XLogP3.17
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dimethylbenzamide
CID 42237886
2-(dimethylamino)-N-[[8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 56852446
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
(2S)-N-(cyclopropylmethyl)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97383821
N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 46420852
N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2,4-dimethoxybenzamide
CID 45173149
2-naphthalen-1-yl-N-[[(2R)-8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 42367998
3-methyl-N-[[(2R)-8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 42167479
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzamide
CID 46378988
3-fluoro-4-methoxy-N-[[8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 126467613
N-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 42440769
N-[[(2S)-8-[3-(4-fluorophenyl)benzoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide
CID 42540053

Frequently Asked Questions

What is the IUPAC name of N-[[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylbenzamide?
The IUPAC name of N-[[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylbenzamide (CID 45182506) is N-[[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylbenzamide.
What is the SMILES notation for N-[[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylbenzamide?
The canonical SMILES for N-[[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCC1CCC2(CCN(C(=O)c3ccoc3)CC2)O1.
What is the InChIKey of N-[[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylbenzamide?
The InChIKey is LANRJFPBEHYRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-16-4-2-3-5-19(16)20(25)23-14-18-6-8-22(28-18)9-11-24(12-10-22)21(26)17-7-13-27-15-17/h2-5,7,13,15,18H,6,8-12,14H2,1H3,(H,23,25).
What are the key properties of N-[[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylbenzamide?
N-[[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylbenzamide has a molecular weight of 382.46 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylbenzamide is sourced from PubChem (CID 45182506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).