N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2,6-dimethoxybenzamide

C17H23NO5 — CID 41412128

IUPACN-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC[C@H]1COC2(CCCC2)O1
InChIInChI=1S/C17H23NO5/c1-20-13-6-5-7-14(21-2)15(13)16(19)18-10-12-11-22-17(23-12)8-3-4-9-17/h5-7,12H,3-4,8-11H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyGAOIYGITSLDWCC-LBPRGKRZSA-N
MW321.37 g/mol
LogP2.12
Rot. Bonds5

About N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2,6-dimethoxybenzamide

N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2,6-dimethoxybenzamide (PubChem CID 41412128) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2,6-dimethoxybenzamide
PubChem CID41412128
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC NameN-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC[C@H]1COC2(CCCC2)O1
InChIInChI=1S/C17H23NO5/c1-20-13-6-5-7-14(21-2)15(13)16(19)18-10-12-11-22-17(23-12)8-3-4-9-17/h5-7,12H,3-4,8-11H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyGAOIYGITSLDWCC-LBPRGKRZSA-N
XLogP2.12
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.12
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]-2,6-dimethoxybenzamide
CID 41412095
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,3-dimethoxybenzamide
CID 7423485
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide
CID 18583783
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide
CID 18583883
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-ethoxynaphthalene-1-carboxamide
CID 18583918
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
3-chloro-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide
CID 41412155
4-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide
CID 18583938
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
CID 16803906
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]furan-2-carboxamide
CID 41412119
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-ethoxybenzamide
CID 18583934

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2,6-dimethoxybenzamide (CID 41412128) is N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NC[C@H]1COC2(CCCC2)O1.
What is the InChIKey of N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2,6-dimethoxybenzamide?
The InChIKey is GAOIYGITSLDWCC-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23NO5/c1-20-13-6-5-7-14(21-2)15(13)16(19)18-10-12-11-22-17(23-12)8-3-4-9-17/h5-7,12H,3-4,8-11H2,1-2H3,(H,18,19)/t12-/m0/s1.
What are the key properties of N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2,6-dimethoxybenzamide?
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2,6-dimethoxybenzamide has a molecular weight of 321.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 41412128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).