2,4,5-trimethoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide

C19H27NO5 — CID 118762504

IUPAC2,4,5-trimethoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide
SMILESCOc1cc(OC)c(C(=O)NC2COC3(CCCCC3)C2)cc1OC
InChIInChI=1S/C19H27NO5/c1-22-15-10-17(24-3)16(23-2)9-14(15)18(21)20-13-11-19(25-12-13)7-5-4-6-8-19/h9-10,13H,4-8,11-12H2,1-3H3,(H,20,21)
InChIKeyCOQYRRPCPBGSCP-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.93
Rot. Bonds5

About 2,4,5-trimethoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide

2,4,5-trimethoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide (PubChem CID 118762504) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide.

Molecular Properties

Compound Name2,4,5-trimethoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide
PubChem CID118762504
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Name2,4,5-trimethoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide
SMILESCOc1cc(OC)c(C(=O)NC2COC3(CCCCC3)C2)cc1OC
InChIInChI=1S/C19H27NO5/c1-22-15-10-17(24-3)16(23-2)9-14(15)18(21)20-13-11-19(25-12-13)7-5-4-6-8-19/h9-10,13H,4-8,11-12H2,1-3H3,(H,20,21)
InChIKeyCOQYRRPCPBGSCP-UHFFFAOYSA-N
XLogP2.93
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclooctyl-2,4,5-trimethoxybenzamide
CID 912719
2-(3-aminopropoxy)-5-methoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide
CID 118771394
2,4,5-trimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 1089289
3-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1-propylpyrazole-4-carboxamide
CID 97126258
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide;hydrochloride
CID 119457267
N-(1-oxaspiro[4.5]decan-3-yl)pyridine-4-carboxamide
CID 91767897
N-cyclohexyl-2,5-dimethoxy-4-methylbenzamide
CID 110763218
5-(cyclohexylcarbamoyl)-2,4-dimethoxybenzoic acid
CID 131994752
6-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 124906857
oxiran-2-yl-(2,4,5-trimethoxyphenyl)methanone
CID 116826500
6-(3,5-difluoroanilino)-3-methoxy-N-(4-oxaspiro[2.4]heptan-6-yl)pyridine-2-carboxamide
CID 155350378
2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426612

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide?
The IUPAC name of 2,4,5-trimethoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide (CID 118762504) is 2,4,5-trimethoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide.
What is the SMILES notation for 2,4,5-trimethoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide?
The canonical SMILES for 2,4,5-trimethoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide is COc1cc(OC)c(C(=O)NC2COC3(CCCCC3)C2)cc1OC.
What is the InChIKey of 2,4,5-trimethoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide?
The InChIKey is COQYRRPCPBGSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-22-15-10-17(24-3)16(23-2)9-14(15)18(21)20-13-11-19(25-12-13)7-5-4-6-8-19/h9-10,13H,4-8,11-12H2,1-3H3,(H,20,21).
What are the key properties of 2,4,5-trimethoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide?
2,4,5-trimethoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide has a molecular weight of 349.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide is sourced from PubChem (CID 118762504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).