1-(oxan-4-yl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide

C15H24N2O4 — CID 71801387

IUPAC1-(oxan-4-yl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1CC(=O)N(C2CCOCC2)C1
InChIInChI=1S/C15H24N2O4/c18-14-8-11(10-17(14)12-3-6-20-7-4-12)15(19)16-9-13-2-1-5-21-13/h11-13H,1-10H2,(H,16,19)
InChIKeyKFMZPIMOBVLMID-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.31
Rot. Bonds4

About 1-(oxan-4-yl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide

1-(oxan-4-yl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 71801387) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(oxan-4-yl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(oxan-4-yl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID71801387
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1-(oxan-4-yl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1CC(=O)N(C2CCOCC2)C1
InChIInChI=1S/C15H24N2O4/c18-14-8-11(10-17(14)12-3-6-20-7-4-12)15(19)16-9-13-2-1-5-21-13/h11-13H,1-10H2,(H,16,19)
InChIKeyKFMZPIMOBVLMID-UHFFFAOYSA-N
XLogP0.31
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cycloheptyl-5-oxo-N-(tetrahydrofuran-2-ylmethyl)pyrrolidine-3-carboxamide
CID 3241478
1-cyclopentyl-5-oxo-N-(tetrahydrofuran-2-ylmethyl)pyrrolidine-3-carboxamide
CID 3531884
1-cyclohexyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 2989850
3-(2,5-dioxopyrrolidin-1-yl)-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 60437608
N-(2,3-dimethyloxolan-3-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 136529929
4-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl]pyrrolidin-2-one
CID 136581515
1-cyclooctyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 4063910
ethane;N-[(2S)-3-methyl-1-[(1R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butan-2-yl]acetamide;molecular hydrogen
CID 163271238
2-methyl-N-[3-methyl-1-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butan-2-yl]propanamide
CID 167035164
N-[(2S)-3-methyl-1-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butan-2-yl]acetamide
CID 167035165
2-methyl-N-[3-methyl-1-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butan-2-yl]propanamide
CID 167386412
2-methyl-N-[(2R)-3-methyl-1-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butan-2-yl]propanamide
CID 167386443

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(oxan-4-yl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide (CID 71801387) is 1-(oxan-4-yl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(oxan-4-yl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(oxan-4-yl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCC1CCCO1)C1CC(=O)N(C2CCOCC2)C1.
What is the InChIKey of 1-(oxan-4-yl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is KFMZPIMOBVLMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c18-14-8-11(10-17(14)12-3-6-20-7-4-12)15(19)16-9-13-2-1-5-21-13/h11-13H,1-10H2,(H,16,19).
What are the key properties of 1-(oxan-4-yl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
1-(oxan-4-yl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 71801387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).