N-cyclohexyl-3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carboxamide

C17H24N2O4 — CID 90628813

IUPACN-cyclohexyl-3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carboxamide
SMILESCc1cc(OC2CCN(C(=O)NC3CCCCC3)C2)cc(=O)o1
InChIInChI=1S/C17H24N2O4/c1-12-9-15(10-16(20)22-12)23-14-7-8-19(11-14)17(21)18-13-5-3-2-4-6-13/h9-10,13-14H,2-8,11H2,1H3,(H,18,21)
InChIKeyAXXUPLUXYKEMPW-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.44
Rot. Bonds3

About N-cyclohexyl-3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carboxamide

N-cyclohexyl-3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carboxamide (PubChem CID 90628813) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-cyclohexyl-3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carboxamide
PubChem CID90628813
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-cyclohexyl-3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carboxamide
SMILESCc1cc(OC2CCN(C(=O)NC3CCCCC3)C2)cc(=O)o1
InChIInChI=1S/C17H24N2O4/c1-12-9-15(10-16(20)22-12)23-14-7-8-19(11-14)17(21)18-13-5-3-2-4-6-13/h9-10,13-14H,2-8,11H2,1H3,(H,18,21)
InChIKeyAXXUPLUXYKEMPW-UHFFFAOYSA-N
XLogP2.44
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carboxamide (CID 90628813) is N-cyclohexyl-3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carboxamide is Cc1cc(OC2CCN(C(=O)NC3CCCCC3)C2)cc(=O)o1.
What is the InChIKey of N-cyclohexyl-3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carboxamide?
The InChIKey is AXXUPLUXYKEMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12-9-15(10-16(20)22-12)23-14-7-8-19(11-14)17(21)18-13-5-3-2-4-6-13/h9-10,13-14H,2-8,11H2,1H3,(H,18,21).
What are the key properties of N-cyclohexyl-3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carboxamide?
N-cyclohexyl-3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carboxamide is sourced from PubChem (CID 90628813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).