3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide

C18H29N3O3 — CID 91925461

IUPAC3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide
SMILESCC(C)N1C(=O)C2(CCCC2)C1C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C18H29N3O3/c1-13(2)21-15(18(17(21)24)8-3-4-9-18)16(23)19-10-6-12-20-11-5-7-14(20)22/h13,15H,3-12H2,1-2H3,(H,19,23)
InChIKeyKNYZMNYKPPOOMK-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.29
Rot. Bonds6

About 3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide

3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide (PubChem CID 91925461) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide.

Molecular Properties

Compound Name3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide
PubChem CID91925461
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide
SMILESCC(C)N1C(=O)C2(CCCC2)C1C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C18H29N3O3/c1-13(2)21-15(18(17(21)24)8-3-4-9-18)16(23)19-10-6-12-20-11-5-7-14(20)22/h13,15H,3-12H2,1-2H3,(H,19,23)
InChIKeyKNYZMNYKPPOOMK-UHFFFAOYSA-N
XLogP1.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide?
The IUPAC name of 3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide (CID 91925461) is 3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide.
What is the SMILES notation for 3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide?
The canonical SMILES for 3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide is CC(C)N1C(=O)C2(CCCC2)C1C(=O)NCCCN1CCCC1=O.
What is the InChIKey of 3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide?
The InChIKey is KNYZMNYKPPOOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-13(2)21-15(18(17(21)24)8-3-4-9-18)16(23)19-10-6-12-20-11-5-7-14(20)22/h13,15H,3-12H2,1-2H3,(H,19,23).
What are the key properties of 3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide?
3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide is sourced from PubChem (CID 91925461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).