N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide

C18H24N2O5 — CID 18583883

IUPACN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C18H24N2O5/c1-23-15-8-4-3-7-14(15)20-17(22)16(21)19-11-13-12-24-18(25-13)9-5-2-6-10-18/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyMIWGGAUNLKQDOY-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.83
Rot. Bonds4

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

N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide (PubChem CID 18583883) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide
PubChem CID18583883
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C18H24N2O5/c1-23-15-8-4-3-7-14(15)20-17(22)16(21)19-11-13-12-24-18(25-13)9-5-2-6-10-18/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyMIWGGAUNLKQDOY-UHFFFAOYSA-N
XLogP1.83
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 18583889
N'-(3,4-dimethoxyphenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
CID 7423674
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-(2-fluorophenyl)oxamide
CID 7423731
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-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-(4-methoxyphenyl)oxamide
CID 7423716
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)-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-methyloxamide
CID 18583865
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N'-(3-methylphenyl)oxamide
CID 7423612
N'-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide
CID 18583871

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide (CID 18583883) is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide is COc1ccccc1NC(=O)C(=O)NCC1COC2(CCCCC2)O1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide?
The InChIKey is MIWGGAUNLKQDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-23-15-8-4-3-7-14(15)20-17(22)16(21)19-11-13-12-24-18(25-13)9-5-2-6-10-18/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide?
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide has a molecular weight of 348.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 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)-N'-(2-methoxyphenyl)oxamide is sourced from PubChem (CID 18583883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).