N'-(3,4-dimethoxyphenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide

C18H24N2O6 — CID 18584032

IUPACN'-(3,4-dimethoxyphenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCC2COC3(CCCC3)O2)cc1OC
InChIInChI=1S/C18H24N2O6/c1-23-14-6-5-12(9-15(14)24-2)20-17(22)16(21)19-10-13-11-25-18(26-13)7-3-4-8-18/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyAEWMSIWHCHOLCS-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.44
Rot. Bonds5

About N'-(3,4-dimethoxyphenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide

N'-(3,4-dimethoxyphenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide (PubChem CID 18584032) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is N'-(3,4-dimethoxyphenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(3,4-dimethoxyphenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
PubChem CID18584032
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC NameN'-(3,4-dimethoxyphenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCC2COC3(CCCC3)O2)cc1OC
InChIInChI=1S/C18H24N2O6/c1-23-14-6-5-12(9-15(14)24-2)20-17(22)16(21)19-10-13-11-25-18(26-13)7-3-4-8-18/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyAEWMSIWHCHOLCS-UHFFFAOYSA-N
XLogP1.44
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.44
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-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
CID 7423674
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-methoxy-5-methylphenyl)oxamide
CID 18583889
N'-(4-acetamidophenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
CID 7423650
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide
CID 18583883
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'-(3-chlorophenyl)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
CID 7423611
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2,6-dimethoxybenzamide
CID 41412128
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-[(3-methoxyphenyl)methyl]oxamide
CID 7646917
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide
CID 7645804

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethoxyphenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide?
The IUPAC name of N'-(3,4-dimethoxyphenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide (CID 18584032) is N'-(3,4-dimethoxyphenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide.
What is the SMILES notation for N'-(3,4-dimethoxyphenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide?
The canonical SMILES for N'-(3,4-dimethoxyphenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide is COc1ccc(NC(=O)C(=O)NCC2COC3(CCCC3)O2)cc1OC.
What is the InChIKey of N'-(3,4-dimethoxyphenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide?
The InChIKey is AEWMSIWHCHOLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-23-14-6-5-12(9-15(14)24-2)20-17(22)16(21)19-10-13-11-25-18(26-13)7-3-4-8-18/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(3,4-dimethoxyphenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide?
N'-(3,4-dimethoxyphenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide has a molecular weight of 364.40 g/mol, XLogP of 1.44, 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-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide is sourced from PubChem (CID 18584032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).