N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,6-dimethoxybenzamide

C18H25NO5 — CID 41412095

IUPACN-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC[C@@H]1COC2(CCCCC2)O1
InChIInChI=1S/C18H25NO5/c1-21-14-7-6-8-15(22-2)16(14)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)/t13-/m1/s1
InChIKeyLIUFZFIIODGATQ-CYBMUJFWSA-N
MW335.40 g/mol
LogP2.51
Rot. Bonds5

About N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,6-dimethoxybenzamide

N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,6-dimethoxybenzamide (PubChem CID 41412095) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,6-dimethoxybenzamide
PubChem CID41412095
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC NameN-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC[C@@H]1COC2(CCCCC2)O1
InChIInChI=1S/C18H25NO5/c1-21-14-7-6-8-15(22-2)16(14)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)/t13-/m1/s1
InChIKeyLIUFZFIIODGATQ-CYBMUJFWSA-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

Analyze N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,6-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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)-2,3-dimethoxybenzamide
CID 18583783
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)-N'-(2-methoxyphenyl)oxamide
CID 18583883
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-ethoxynaphthalene-1-carboxamide
CID 18583918
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-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3,4-diethoxybenzamide
CID 7423517
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 18583889
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-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,6-dimethoxybenzamide (CID 41412095) is N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NC[C@@H]1COC2(CCCCC2)O1.
What is the InChIKey of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,6-dimethoxybenzamide?
The InChIKey is LIUFZFIIODGATQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25NO5/c1-21-14-7-6-8-15(22-2)16(14)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)/t13-/m1/s1.
What are the key properties of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,6-dimethoxybenzamide?
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,6-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-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 41412095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).