N-[(2R,3R,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)-3,6-dihydro-2H-pyran-3-yl]-2-phenylacetamide

C20H26N2O5 — CID 54639819

IUPACN-[(2R,3R,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)-3,6-dihydro-2H-pyran-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N[C@@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO
InChIInChI=1S/C20H26N2O5/c23-14-18-17(21-19(24)12-15-4-2-1-3-5-15)7-6-16(27-18)13-20(25)22-8-10-26-11-9-22/h1-7,16-18,23H,8-14H2,(H,21,24)/t16-,17+,18-/m0/s1
InChIKeyIQQRIWPPTLHHIL-KSZLIROESA-N
MW374.44 g/mol
LogP0.28
Rot. Bonds6

About N-[(2R,3R,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)-3,6-dihydro-2H-pyran-3-yl]-2-phenylacetamide

N-[(2R,3R,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)-3,6-dihydro-2H-pyran-3-yl]-2-phenylacetamide (PubChem CID 54639819) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[(2R,3R,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)-3,6-dihydro-2H-pyran-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(2R,3R,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)-3,6-dihydro-2H-pyran-3-yl]-2-phenylacetamide
PubChem CID54639819
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC NameN-[(2R,3R,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)-3,6-dihydro-2H-pyran-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N[C@@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO
InChIInChI=1S/C20H26N2O5/c23-14-18-17(21-19(24)12-15-4-2-1-3-5-15)7-6-16(27-18)13-20(25)22-8-10-26-11-9-22/h1-7,16-18,23H,8-14H2,(H,21,24)/t16-,17+,18-/m0/s1
InChIKeyIQQRIWPPTLHHIL-KSZLIROESA-N
XLogP0.28
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)-3,6-dihydro-2H-pyran-3-yl]-2-phenylacetamide?
The IUPAC name of N-[(2R,3R,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)-3,6-dihydro-2H-pyran-3-yl]-2-phenylacetamide (CID 54639819) is N-[(2R,3R,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)-3,6-dihydro-2H-pyran-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[(2R,3R,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)-3,6-dihydro-2H-pyran-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[(2R,3R,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)-3,6-dihydro-2H-pyran-3-yl]-2-phenylacetamide is O=C(Cc1ccccc1)N[C@@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO.
What is the InChIKey of N-[(2R,3R,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)-3,6-dihydro-2H-pyran-3-yl]-2-phenylacetamide?
The InChIKey is IQQRIWPPTLHHIL-KSZLIROESA-N. The full InChI is InChI=1S/C20H26N2O5/c23-14-18-17(21-19(24)12-15-4-2-1-3-5-15)7-6-16(27-18)13-20(25)22-8-10-26-11-9-22/h1-7,16-18,23H,8-14H2,(H,21,24)/t16-,17+,18-/m0/s1.
What are the key properties of N-[(2R,3R,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)-3,6-dihydro-2H-pyran-3-yl]-2-phenylacetamide?
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)-3,6-dihydro-2H-pyran-3-yl]-2-phenylacetamide has a molecular weight of 374.44 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)-3,6-dihydro-2H-pyran-3-yl]-2-phenylacetamide is sourced from PubChem (CID 54639819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).