N-methyl-2-[2-oxo-9-(oxolane-2-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide

C16H25N3O4 — CID 134070823

IUPACN-methyl-2-[2-oxo-9-(oxolane-2-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide
SMILESCNC(=O)CN1C(=O)CCC12CCCN(C(=O)C1CCCO1)C2
InChIInChI=1S/C16H25N3O4/c1-17-13(20)10-19-14(21)5-7-16(19)6-3-8-18(11-16)15(22)12-4-2-9-23-12/h12H,2-11H2,1H3,(H,17,20)
InChIKeyXILXQSOBVSNXKG-UHFFFAOYSA-N
MW323.39 g/mol
LogP-0.10
Rot. Bonds3

About N-methyl-2-[2-oxo-9-(oxolane-2-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide

N-methyl-2-[2-oxo-9-(oxolane-2-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide (PubChem CID 134070823) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-methyl-2-[2-oxo-9-(oxolane-2-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-oxo-9-(oxolane-2-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide
PubChem CID134070823
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC NameN-methyl-2-[2-oxo-9-(oxolane-2-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide
SMILESCNC(=O)CN1C(=O)CCC12CCCN(C(=O)C1CCCO1)C2
InChIInChI=1S/C16H25N3O4/c1-17-13(20)10-19-14(21)5-7-16(19)6-3-8-18(11-16)15(22)12-4-2-9-23-12/h12H,2-11H2,1H3,(H,17,20)
InChIKeyXILXQSOBVSNXKG-UHFFFAOYSA-N
XLogP-0.10
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-oxo-9-(oxolane-2-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide?
The IUPAC name of N-methyl-2-[2-oxo-9-(oxolane-2-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide (CID 134070823) is N-methyl-2-[2-oxo-9-(oxolane-2-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[2-oxo-9-(oxolane-2-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[2-oxo-9-(oxolane-2-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide is CNC(=O)CN1C(=O)CCC12CCCN(C(=O)C1CCCO1)C2.
What is the InChIKey of N-methyl-2-[2-oxo-9-(oxolane-2-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide?
The InChIKey is XILXQSOBVSNXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-17-13(20)10-19-14(21)5-7-16(19)6-3-8-18(11-16)15(22)12-4-2-9-23-12/h12H,2-11H2,1H3,(H,17,20).
What are the key properties of N-methyl-2-[2-oxo-9-(oxolane-2-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide?
N-methyl-2-[2-oxo-9-(oxolane-2-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide has a molecular weight of 323.39 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-oxo-9-(oxolane-2-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide is sourced from PubChem (CID 134070823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).