N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide

C18H25NO5 — CID 18583783

IUPACN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCC2COC3(CCCCC3)O2)c1OC
InChIInChI=1S/C18H25NO5/c1-21-15-8-6-7-14(16(15)22-2)17(20)19-11-13-12-23-18(24-13)9-4-3-5-10-18/h6-8,13H,3-5,9-12H2,1-2H3,(H,19,20)
InChIKeyBFXYYLHVBPRQNE-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.51
Rot. Bonds5

About N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide

N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide (PubChem CID 18583783) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide
PubChem CID18583783
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCC2COC3(CCCCC3)O2)c1OC
InChIInChI=1S/C18H25NO5/c1-21-15-8-6-7-14(16(15)22-2)17(20)19-11-13-12-23-18(24-13)9-4-3-5-10-18/h6-8,13H,3-5,9-12H2,1-2H3,(H,19,20)
InChIKeyBFXYYLHVBPRQNE-UHFFFAOYSA-N
XLogP2.51
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,3-dimethoxybenzamide
CID 7423485
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,6-dimethoxybenzamide
CID 41412095
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2,6-dimethoxybenzamide
CID 41412128
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide
CID 18583883
2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 4781408
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]furan-2-carboxamide
CID 41412119
N'-(3,4-dimethoxyphenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
CID 7423674
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethoxybenzamide
CID 115362436
N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3,4-diethoxybenzamide
CID 7423517
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-ethoxybenzamide
CID 18583806
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-[(3-methoxyphenyl)methyl]oxamide
CID 7646917
N'-(3,4-dimethoxyphenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
CID 18584032

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide (CID 18583783) is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide is COc1cccc(C(=O)NCC2COC3(CCCCC3)O2)c1OC.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide?
The InChIKey is BFXYYLHVBPRQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-21-15-8-6-7-14(16(15)22-2)17(20)19-11-13-12-23-18(24-13)9-4-3-5-10-18/h6-8,13H,3-5,9-12H2,1-2H3,(H,19,20).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide?
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide has a molecular weight of 335.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 18583783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).