2-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]-N-methoxy-N-methylacetamide

C18H26N2O3 — CID 10567575

IUPAC2-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)C[C@@H]1C=CC[C@@H](C[C@H](O)c2ccccc2)N1C
InChIInChI=1S/C18H26N2O3/c1-19-15(12-17(21)14-8-5-4-6-9-14)10-7-11-16(19)13-18(22)20(2)23-3/h4-9,11,15-17,21H,10,12-13H2,1-3H3/t15-,16-,17-/m0/s1
InChIKeyXCPCZXQLAYVMGW-ULQDDVLXSA-N
MW318.42 g/mol
LogP2.15
Rot. Bonds6

About 2-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]-N-methoxy-N-methylacetamide

2-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]-N-methoxy-N-methylacetamide (PubChem CID 10567575) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]-N-methoxy-N-methylacetamide
PubChem CID10567575
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)C[C@@H]1C=CC[C@@H](C[C@H](O)c2ccccc2)N1C
InChIInChI=1S/C18H26N2O3/c1-19-15(12-17(21)14-8-5-4-6-9-14)10-7-11-16(19)13-18(22)20(2)23-3/h4-9,11,15-17,21H,10,12-13H2,1-3H3/t15-,16-,17-/m0/s1
InChIKeyXCPCZXQLAYVMGW-ULQDDVLXSA-N
XLogP2.15
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]-N-methoxy-N-methylacetamide?
The IUPAC name of 2-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]-N-methoxy-N-methylacetamide (CID 10567575) is 2-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]-N-methoxy-N-methylacetamide is CON(C)C(=O)C[C@@H]1C=CC[C@@H](C[C@H](O)c2ccccc2)N1C.
What is the InChIKey of 2-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]-N-methoxy-N-methylacetamide?
The InChIKey is XCPCZXQLAYVMGW-ULQDDVLXSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-19-15(12-17(21)14-8-5-4-6-9-14)10-7-11-16(19)13-18(22)20(2)23-3/h4-9,11,15-17,21H,10,12-13H2,1-3H3/t15-,16-,17-/m0/s1.
What are the key properties of 2-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]-N-methoxy-N-methylacetamide?
2-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]-N-methoxy-N-methylacetamide has a molecular weight of 318.42 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]-N-methoxy-N-methylacetamide is sourced from PubChem (CID 10567575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).