(2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide

C18H31NO5 — CID 23847009

IUPAC(2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCOCCNC(=O)C1=C[C@@H](C2CCCC2)C[C@@H](OCCCCO)O1
InChIInChI=1S/C18H31NO5/c1-22-11-8-19-18(21)16-12-15(14-6-2-3-7-14)13-17(24-16)23-10-5-4-9-20/h12,14-15,17,20H,2-11,13H2,1H3,(H,19,21)/t15-,17+/m1/s1
InChIKeyIRUOBCJBGVWLSX-WBVHZDCISA-N
MW341.45 g/mol
LogP1.97
Rot. Bonds10

About (2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide

(2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23847009) has the molecular formula C18H31NO5 and a molecular weight of 341.45 g/mol. Its IUPAC name is (2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID23847009
Molecular FormulaC18H31NO5
Molecular Weight341.45 g/mol
Exact Mass341.22
IUPAC Name(2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCOCCNC(=O)C1=C[C@@H](C2CCCC2)C[C@@H](OCCCCO)O1
InChIInChI=1S/C18H31NO5/c1-22-11-8-19-18(21)16-12-15(14-6-2-3-7-14)13-17(24-16)23-10-5-4-9-20/h12,14-15,17,20H,2-11,13H2,1H3,(H,19,21)/t15-,17+/m1/s1
InChIKeyIRUOBCJBGVWLSX-WBVHZDCISA-N
XLogP1.97
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 23847009) is (2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide is COCCNC(=O)C1=C[C@@H](C2CCCC2)C[C@@H](OCCCCO)O1.
What is the InChIKey of (2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is IRUOBCJBGVWLSX-WBVHZDCISA-N. The full InChI is InChI=1S/C18H31NO5/c1-22-11-8-19-18(21)16-12-15(14-6-2-3-7-14)13-17(24-16)23-10-5-4-9-20/h12,14-15,17,20H,2-11,13H2,1H3,(H,19,21)/t15-,17+/m1/s1.
What are the key properties of (2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
(2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 1.97, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23847009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).