2-acetyl-4-(methoxymethyl)-N-(3-methoxypropyl)-2,8-diazaspiro[4.5]decane-8-carboxamide

C17H31N3O4 — CID 91922152

IUPAC2-acetyl-4-(methoxymethyl)-N-(3-methoxypropyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOCCCNC(=O)N1CCC2(CC1)CN(C(C)=O)CC2COC
InChIInChI=1S/C17H31N3O4/c1-14(21)20-11-15(12-24-3)17(13-20)5-8-19(9-6-17)16(22)18-7-4-10-23-2/h15H,4-13H2,1-3H3,(H,18,22)
InChIKeyVIBWFNGDEZEQBO-UHFFFAOYSA-N
MW341.45 g/mol
LogP0.94
Rot. Bonds6

About 2-acetyl-4-(methoxymethyl)-N-(3-methoxypropyl)-2,8-diazaspiro[4.5]decane-8-carboxamide

2-acetyl-4-(methoxymethyl)-N-(3-methoxypropyl)-2,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 91922152) has the molecular formula C17H31N3O4 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-acetyl-4-(methoxymethyl)-N-(3-methoxypropyl)-2,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name2-acetyl-4-(methoxymethyl)-N-(3-methoxypropyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID91922152
Molecular FormulaC17H31N3O4
Molecular Weight341.45 g/mol
Exact Mass341.23
IUPAC Name2-acetyl-4-(methoxymethyl)-N-(3-methoxypropyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOCCCNC(=O)N1CCC2(CC1)CN(C(C)=O)CC2COC
InChIInChI=1S/C17H31N3O4/c1-14(21)20-11-15(12-24-3)17(13-20)5-8-19(9-6-17)16(22)18-7-4-10-23-2/h15H,4-13H2,1-3H3,(H,18,22)
InChIKeyVIBWFNGDEZEQBO-UHFFFAOYSA-N
XLogP0.94
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-4-(methoxymethyl)-N-(3-methoxypropyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 2-acetyl-4-(methoxymethyl)-N-(3-methoxypropyl)-2,8-diazaspiro[4.5]decane-8-carboxamide (CID 91922152) is 2-acetyl-4-(methoxymethyl)-N-(3-methoxypropyl)-2,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 2-acetyl-4-(methoxymethyl)-N-(3-methoxypropyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 2-acetyl-4-(methoxymethyl)-N-(3-methoxypropyl)-2,8-diazaspiro[4.5]decane-8-carboxamide is COCCCNC(=O)N1CCC2(CC1)CN(C(C)=O)CC2COC.
What is the InChIKey of 2-acetyl-4-(methoxymethyl)-N-(3-methoxypropyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is VIBWFNGDEZEQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O4/c1-14(21)20-11-15(12-24-3)17(13-20)5-8-19(9-6-17)16(22)18-7-4-10-23-2/h15H,4-13H2,1-3H3,(H,18,22).
What are the key properties of 2-acetyl-4-(methoxymethyl)-N-(3-methoxypropyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
2-acetyl-4-(methoxymethyl)-N-(3-methoxypropyl)-2,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-4-(methoxymethyl)-N-(3-methoxypropyl)-2,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 91922152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).