4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyran-3-carboxamide

C23H27NO4 — CID 169411239

IUPAC4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyran-3-carboxamide
SMILESCc1cc(C2CCCO2)oc(=O)c1C(=O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C23H27NO4/c1-16-14-19(18-10-7-13-27-18)28-22(26)20(16)21(25)24-15-23(11-5-6-12-23)17-8-3-2-4-9-17/h2-4,8-9,14,18H,5-7,10-13,15H2,1H3,(H,24,25)
InChIKeyXXLMRLBRFYSZCL-UHFFFAOYSA-N
MW381.47 g/mol
LogP4.04
Rot. Bonds5

About 4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyran-3-carboxamide

4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyran-3-carboxamide (PubChem CID 169411239) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is 4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyran-3-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyran-3-carboxamide
PubChem CID169411239
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyran-3-carboxamide
SMILESCc1cc(C2CCCO2)oc(=O)c1C(=O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C23H27NO4/c1-16-14-19(18-10-7-13-27-18)28-22(26)20(16)21(25)24-15-23(11-5-6-12-23)17-8-3-2-4-9-17/h2-4,8-9,14,18H,5-7,10-13,15H2,1H3,(H,24,25)
InChIKeyXXLMRLBRFYSZCL-UHFFFAOYSA-N
XLogP4.04
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyran-3-carboxamide?
The IUPAC name of 4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyran-3-carboxamide (CID 169411239) is 4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyran-3-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyran-3-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyran-3-carboxamide is Cc1cc(C2CCCO2)oc(=O)c1C(=O)NCC1(c2ccccc2)CCCC1.
What is the InChIKey of 4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyran-3-carboxamide?
The InChIKey is XXLMRLBRFYSZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c1-16-14-19(18-10-7-13-27-18)28-22(26)20(16)21(25)24-15-23(11-5-6-12-23)17-8-3-2-4-9-17/h2-4,8-9,14,18H,5-7,10-13,15H2,1H3,(H,24,25).
What are the key properties of 4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyran-3-carboxamide?
4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyran-3-carboxamide has a molecular weight of 381.47 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyran-3-carboxamide is sourced from PubChem (CID 169411239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).