4-methyl-6-(3-methylbutyl)-2-oxo-N-[(5-oxopyrrolidin-2-yl)methyl]pyran-3-carboxamide

C17H24N2O4 — CID 170512843

IUPAC4-methyl-6-(3-methylbutyl)-2-oxo-N-[(5-oxopyrrolidin-2-yl)methyl]pyran-3-carboxamide
SMILESCc1cc(CCC(C)C)oc(=O)c1C(=O)NCC1CCC(=O)N1
InChIInChI=1S/C17H24N2O4/c1-10(2)4-6-13-8-11(3)15(17(22)23-13)16(21)18-9-12-5-7-14(20)19-12/h8,10,12H,4-7,9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyQTBRTICLQANXBU-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.55
Rot. Bonds6

About 4-methyl-6-(3-methylbutyl)-2-oxo-N-[(5-oxopyrrolidin-2-yl)methyl]pyran-3-carboxamide

4-methyl-6-(3-methylbutyl)-2-oxo-N-[(5-oxopyrrolidin-2-yl)methyl]pyran-3-carboxamide (PubChem CID 170512843) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-methyl-6-(3-methylbutyl)-2-oxo-N-[(5-oxopyrrolidin-2-yl)methyl]pyran-3-carboxamide.

Molecular Properties

Compound Name4-methyl-6-(3-methylbutyl)-2-oxo-N-[(5-oxopyrrolidin-2-yl)methyl]pyran-3-carboxamide
PubChem CID170512843
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name4-methyl-6-(3-methylbutyl)-2-oxo-N-[(5-oxopyrrolidin-2-yl)methyl]pyran-3-carboxamide
SMILESCc1cc(CCC(C)C)oc(=O)c1C(=O)NCC1CCC(=O)N1
InChIInChI=1S/C17H24N2O4/c1-10(2)4-6-13-8-11(3)15(17(22)23-13)16(21)18-9-12-5-7-14(20)19-12/h8,10,12H,4-7,9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyQTBRTICLQANXBU-UHFFFAOYSA-N
XLogP1.55
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(3-methylbutyl)-2-oxo-N-[(5-oxopyrrolidin-2-yl)methyl]pyran-3-carboxamide?
The IUPAC name of 4-methyl-6-(3-methylbutyl)-2-oxo-N-[(5-oxopyrrolidin-2-yl)methyl]pyran-3-carboxamide (CID 170512843) is 4-methyl-6-(3-methylbutyl)-2-oxo-N-[(5-oxopyrrolidin-2-yl)methyl]pyran-3-carboxamide.
What is the SMILES notation for 4-methyl-6-(3-methylbutyl)-2-oxo-N-[(5-oxopyrrolidin-2-yl)methyl]pyran-3-carboxamide?
The canonical SMILES for 4-methyl-6-(3-methylbutyl)-2-oxo-N-[(5-oxopyrrolidin-2-yl)methyl]pyran-3-carboxamide is Cc1cc(CCC(C)C)oc(=O)c1C(=O)NCC1CCC(=O)N1.
What is the InChIKey of 4-methyl-6-(3-methylbutyl)-2-oxo-N-[(5-oxopyrrolidin-2-yl)methyl]pyran-3-carboxamide?
The InChIKey is QTBRTICLQANXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-10(2)4-6-13-8-11(3)15(17(22)23-13)16(21)18-9-12-5-7-14(20)19-12/h8,10,12H,4-7,9H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 4-methyl-6-(3-methylbutyl)-2-oxo-N-[(5-oxopyrrolidin-2-yl)methyl]pyran-3-carboxamide?
4-methyl-6-(3-methylbutyl)-2-oxo-N-[(5-oxopyrrolidin-2-yl)methyl]pyran-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(3-methylbutyl)-2-oxo-N-[(5-oxopyrrolidin-2-yl)methyl]pyran-3-carboxamide is sourced from PubChem (CID 170512843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).