(2R,4S)-4-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide

C20H27NO5 — CID 23789403

IUPAC(2R,4S)-4-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCOCCNC(=O)C1=C[C@H](C2CC2)C[C@H](OCc2ccc(CO)cc2)O1
InChIInChI=1S/C20H27NO5/c1-24-9-8-21-20(23)18-10-17(16-6-7-16)11-19(26-18)25-13-15-4-2-14(12-22)3-5-15/h2-5,10,16-17,19,22H,6-9,11-13H2,1H3,(H,21,23)/t17-,19+/m0/s1
InChIKeyGWFJATFWXINRJO-PKOBYXMFSA-N
MW361.44 g/mol
LogP2.11
Rot. Bonds9

About (2R,4S)-4-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide

(2R,4S)-4-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23789403) has the molecular formula C20H27NO5 and a molecular weight of 361.44 g/mol. Its IUPAC name is (2R,4S)-4-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2R,4S)-4-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID23789403
Molecular FormulaC20H27NO5
Molecular Weight361.44 g/mol
Exact Mass361.19
IUPAC Name(2R,4S)-4-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCOCCNC(=O)C1=C[C@H](C2CC2)C[C@H](OCc2ccc(CO)cc2)O1
InChIInChI=1S/C20H27NO5/c1-24-9-8-21-20(23)18-10-17(16-6-7-16)11-19(26-18)25-13-15-4-2-14(12-22)3-5-15/h2-5,10,16-17,19,22H,6-9,11-13H2,1H3,(H,21,23)/t17-,19+/m0/s1
InChIKeyGWFJATFWXINRJO-PKOBYXMFSA-N
XLogP2.11
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.11
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 (2R,4S)-4-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2R,4S)-4-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 23789403) is (2R,4S)-4-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2R,4S)-4-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2R,4S)-4-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide is COCCNC(=O)C1=C[C@H](C2CC2)C[C@H](OCc2ccc(CO)cc2)O1.
What is the InChIKey of (2R,4S)-4-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is GWFJATFWXINRJO-PKOBYXMFSA-N. The full InChI is InChI=1S/C20H27NO5/c1-24-9-8-21-20(23)18-10-17(16-6-7-16)11-19(26-18)25-13-15-4-2-14(12-22)3-5-15/h2-5,10,16-17,19,22H,6-9,11-13H2,1H3,(H,21,23)/t17-,19+/m0/s1.
What are the key properties of (2R,4S)-4-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
(2R,4S)-4-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23789403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).