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

C23H29NO4 — CID 170505318

IUPAC4-methyl-2-oxo-N-[3-(oxolan-3-yl)propyl]-6-(3-phenylpropyl)pyran-3-carboxamide
SMILESCc1cc(CCCc2ccccc2)oc(=O)c1C(=O)NCCCC1CCOC1
InChIInChI=1S/C23H29NO4/c1-17-15-20(11-5-9-18-7-3-2-4-8-18)28-23(26)21(17)22(25)24-13-6-10-19-12-14-27-16-19/h2-4,7-8,15,19H,5-6,9-14,16H2,1H3,(H,24,25)
InChIKeyYOAUEOOSKJFEGV-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.67
Rot. Bonds9

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

4-methyl-2-oxo-N-[3-(oxolan-3-yl)propyl]-6-(3-phenylpropyl)pyran-3-carboxamide (PubChem CID 170505318) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-[3-(oxolan-3-yl)propyl]-6-(3-phenylpropyl)pyran-3-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-[3-(oxolan-3-yl)propyl]-6-(3-phenylpropyl)pyran-3-carboxamide
PubChem CID170505318
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name4-methyl-2-oxo-N-[3-(oxolan-3-yl)propyl]-6-(3-phenylpropyl)pyran-3-carboxamide
SMILESCc1cc(CCCc2ccccc2)oc(=O)c1C(=O)NCCCC1CCOC1
InChIInChI=1S/C23H29NO4/c1-17-15-20(11-5-9-18-7-3-2-4-8-18)28-23(26)21(17)22(25)24-13-6-10-19-12-14-27-16-19/h2-4,7-8,15,19H,5-6,9-14,16H2,1H3,(H,24,25)
InChIKeyYOAUEOOSKJFEGV-UHFFFAOYSA-N
XLogP3.67
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-methyl-2-oxo-N-[3-(oxolan-3-yl)propyl]-6-(3-phenylpropyl)pyran-3-carboxamide?
The IUPAC name of 4-methyl-2-oxo-N-[3-(oxolan-3-yl)propyl]-6-(3-phenylpropyl)pyran-3-carboxamide (CID 170505318) is 4-methyl-2-oxo-N-[3-(oxolan-3-yl)propyl]-6-(3-phenylpropyl)pyran-3-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-N-[3-(oxolan-3-yl)propyl]-6-(3-phenylpropyl)pyran-3-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-N-[3-(oxolan-3-yl)propyl]-6-(3-phenylpropyl)pyran-3-carboxamide is Cc1cc(CCCc2ccccc2)oc(=O)c1C(=O)NCCCC1CCOC1.
What is the InChIKey of 4-methyl-2-oxo-N-[3-(oxolan-3-yl)propyl]-6-(3-phenylpropyl)pyran-3-carboxamide?
The InChIKey is YOAUEOOSKJFEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-17-15-20(11-5-9-18-7-3-2-4-8-18)28-23(26)21(17)22(25)24-13-6-10-19-12-14-27-16-19/h2-4,7-8,15,19H,5-6,9-14,16H2,1H3,(H,24,25).
What are the key properties of 4-methyl-2-oxo-N-[3-(oxolan-3-yl)propyl]-6-(3-phenylpropyl)pyran-3-carboxamide?
4-methyl-2-oxo-N-[3-(oxolan-3-yl)propyl]-6-(3-phenylpropyl)pyran-3-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-[3-(oxolan-3-yl)propyl]-6-(3-phenylpropyl)pyran-3-carboxamide is sourced from PubChem (CID 170505318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).