N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-[(3-methoxyphenyl)methyl]oxamide

C18H24N2O5 — CID 7646917

IUPACN-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-[(3-methoxyphenyl)methyl]oxamide
SMILESCOc1cccc(CNC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)c1
InChIInChI=1S/C18H24N2O5/c1-23-14-6-4-5-13(9-14)10-19-16(21)17(22)20-11-15-12-24-18(25-15)7-2-3-8-18/h4-6,9,15H,2-3,7-8,10-12H2,1H3,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeyFNJDESMOLOEMGG-HNNXBMFYSA-N
MW348.40 g/mol
LogP1.11
Rot. Bonds5

About N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-[(3-methoxyphenyl)methyl]oxamide

N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-[(3-methoxyphenyl)methyl]oxamide (PubChem CID 7646917) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-[(3-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-[(3-methoxyphenyl)methyl]oxamide
PubChem CID7646917
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC NameN-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-[(3-methoxyphenyl)methyl]oxamide
SMILESCOc1cccc(CNC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)c1
InChIInChI=1S/C18H24N2O5/c1-23-14-6-4-5-13(9-14)10-19-16(21)17(22)20-11-15-12-24-18(25-15)7-2-3-8-18/h4-6,9,15H,2-3,7-8,10-12H2,1H3,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeyFNJDESMOLOEMGG-HNNXBMFYSA-N
XLogP1.11
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.11
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-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide
CID 7645804
N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-(4-methoxyphenyl)oxamide
CID 7423716
N'-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7646088
N'-[(4-chlorophenyl)methyl]-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
CID 18583975
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'-(3,4-dimethoxyphenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
CID 18584032
N'-(3,4-dimethoxyphenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
CID 7423674
N'-[(2-chlorophenyl)methyl]-N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]oxamide
CID 7647092
1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea
CID 47133588
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 18583889
N'-(3-chlorophenyl)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
CID 7423611

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-[(3-methoxyphenyl)methyl]oxamide?
The IUPAC name of N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-[(3-methoxyphenyl)methyl]oxamide (CID 7646917) is N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-[(3-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-[(3-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-[(3-methoxyphenyl)methyl]oxamide is COc1cccc(CNC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)c1.
What is the InChIKey of N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-[(3-methoxyphenyl)methyl]oxamide?
The InChIKey is FNJDESMOLOEMGG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-23-14-6-4-5-13(9-14)10-19-16(21)17(22)20-11-15-12-24-18(25-15)7-2-3-8-18/h4-6,9,15H,2-3,7-8,10-12H2,1H3,(H,19,21)(H,20,22)/t15-/m0/s1.
What are the key properties of N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-[(3-methoxyphenyl)methyl]oxamide?
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-[(3-methoxyphenyl)methyl]oxamide has a molecular weight of 348.40 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 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]-N'-[(3-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 7646917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).