N'-(3,4-dimethoxyphenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide

C19H26N2O6 — CID 7423674

IUPACN'-(3,4-dimethoxyphenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1OC
InChIInChI=1S/C19H26N2O6/c1-24-15-7-6-13(10-16(15)25-2)21-18(23)17(22)20-11-14-12-26-19(27-14)8-4-3-5-9-19/h6-7,10,14H,3-5,8-9,11-12H2,1-2H3,(H,20,22)(H,21,23)/t14-/m1/s1
InChIKeyFHJBYEKOEISODX-CQSZACIVSA-N
MW378.43 g/mol
LogP1.83
Rot. Bonds5

About N'-(3,4-dimethoxyphenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide

N'-(3,4-dimethoxyphenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide (PubChem CID 7423674) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is N'-(3,4-dimethoxyphenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(3,4-dimethoxyphenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
PubChem CID7423674
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC NameN'-(3,4-dimethoxyphenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1OC
InChIInChI=1S/C19H26N2O6/c1-24-15-7-6-13(10-16(15)25-2)21-18(23)17(22)20-11-14-12-26-19(27-14)8-4-3-5-9-19/h6-7,10,14H,3-5,8-9,11-12H2,1-2H3,(H,20,22)(H,21,23)/t14-/m1/s1
InChIKeyFHJBYEKOEISODX-CQSZACIVSA-N
XLogP1.83
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(3,4-dimethoxyphenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
CID 18584032
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 18583889
N'-(4-acetamidophenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
CID 7423650
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
CID 16803906
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide
CID 18583883
N'-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide
CID 18583871
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N'-(3-methylphenyl)oxamide
CID 7423612
N'-(3-chlorophenyl)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
CID 7423611
N'-[4-(dimethylamino)phenyl]-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]oxamide
CID 7647171
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
CID 18584028
N'-(3-chloro-4-fluorophenyl)-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]oxamide
CID 7423776
N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-methyloxamide
CID 18583865

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethoxyphenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide?
The IUPAC name of N'-(3,4-dimethoxyphenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide (CID 7423674) is N'-(3,4-dimethoxyphenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide.
What is the SMILES notation for N'-(3,4-dimethoxyphenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide?
The canonical SMILES for N'-(3,4-dimethoxyphenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide is COc1ccc(NC(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1OC.
What is the InChIKey of N'-(3,4-dimethoxyphenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide?
The InChIKey is FHJBYEKOEISODX-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N2O6/c1-24-15-7-6-13(10-16(15)25-2)21-18(23)17(22)20-11-14-12-26-19(27-14)8-4-3-5-9-19/h6-7,10,14H,3-5,8-9,11-12H2,1-2H3,(H,20,22)(H,21,23)/t14-/m1/s1.
What are the key properties of N'-(3,4-dimethoxyphenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide?
N'-(3,4-dimethoxyphenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide has a molecular weight of 378.43 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethoxyphenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide is sourced from PubChem (CID 7423674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).