(3R,4aR,8aS)-N-(2-methoxyethyl)-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide

C20H30N2O3 — CID 97388380

IUPAC(3R,4aR,8aS)-N-(2-methoxyethyl)-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
SMILESCOCCNC(=O)[C@H]1CO[C@H]2CCN(CCc3ccccc3)C[C@H]2C1
InChIInChI=1S/C20H30N2O3/c1-24-12-9-21-20(23)18-13-17-14-22(11-8-19(17)25-15-18)10-7-16-5-3-2-4-6-16/h2-6,17-19H,7-15H2,1H3,(H,21,23)/t17-,18-,19+/m1/s1
InChIKeyPHRBGGIPGGHDJD-QRVBRYPASA-N
MW346.47 g/mol
LogP1.72
Rot. Bonds7

About (3R,4aR,8aS)-N-(2-methoxyethyl)-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide

(3R,4aR,8aS)-N-(2-methoxyethyl)-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide (PubChem CID 97388380) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (3R,4aR,8aS)-N-(2-methoxyethyl)-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R,4aR,8aS)-N-(2-methoxyethyl)-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
PubChem CID97388380
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(3R,4aR,8aS)-N-(2-methoxyethyl)-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
SMILESCOCCNC(=O)[C@H]1CO[C@H]2CCN(CCc3ccccc3)C[C@H]2C1
InChIInChI=1S/C20H30N2O3/c1-24-12-9-21-20(23)18-13-17-14-22(11-8-19(17)25-15-18)10-7-16-5-3-2-4-6-16/h2-6,17-19H,7-15H2,1H3,(H,21,23)/t17-,18-,19+/m1/s1
InChIKeyPHRBGGIPGGHDJD-QRVBRYPASA-N
XLogP1.72
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R,4aR,8aS)-N-(2-methoxyethyl)-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide with MolForge

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Related Compounds

(3S,4aS,8aR)-N-methyl-6-(2-phenylmethoxyethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
CID 124802231
(3R,4aR,8aS)-N-(2-methoxyethyl)-6-(6-methylpyridazin-3-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
CID 97366413
(3R,4aR,8aS)-6-methyl-N-(2-thiophen-2-ylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
CID 97366438
1-(2-methoxyethyl)-2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine
CID 110940154
1-(2-methoxyethyl)-2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 110940153
(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 95636050
N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide
CID 55909398
N-(3-methoxypropyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 28767990
(2S,4R)-4-(benzylamino)-N-(2-methoxyethyl)-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 29257710
4-methoxy-N-(2-methoxyethyl)-2-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 25458681
(1R,2S,8R,9S)-N-(2-methoxyethyl)-6-oxo-11-(3-phenylpropyl)-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide
CID 171388147
(3S)-1-benzyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-3-carboxamide
CID 95284860

Frequently Asked Questions

What is the IUPAC name of (3R,4aR,8aS)-N-(2-methoxyethyl)-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide?
The IUPAC name of (3R,4aR,8aS)-N-(2-methoxyethyl)-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide (CID 97388380) is (3R,4aR,8aS)-N-(2-methoxyethyl)-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for (3R,4aR,8aS)-N-(2-methoxyethyl)-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for (3R,4aR,8aS)-N-(2-methoxyethyl)-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide is COCCNC(=O)[C@H]1CO[C@H]2CCN(CCc3ccccc3)C[C@H]2C1.
What is the InChIKey of (3R,4aR,8aS)-N-(2-methoxyethyl)-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide?
The InChIKey is PHRBGGIPGGHDJD-QRVBRYPASA-N. The full InChI is InChI=1S/C20H30N2O3/c1-24-12-9-21-20(23)18-13-17-14-22(11-8-19(17)25-15-18)10-7-16-5-3-2-4-6-16/h2-6,17-19H,7-15H2,1H3,(H,21,23)/t17-,18-,19+/m1/s1.
What are the key properties of (3R,4aR,8aS)-N-(2-methoxyethyl)-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide?
(3R,4aR,8aS)-N-(2-methoxyethyl)-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4aR,8aS)-N-(2-methoxyethyl)-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 97388380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).