N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-2-(4-oxo-1-pyridinyl)acetamide

C19H22N2O5 — CID 91767933

IUPACN-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-2-(4-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1ccc(=O)cc1)N[C@@H]1COCC[C@H]1Oc1ccc(CO)cc1
InChIInChI=1S/C19H22N2O5/c22-12-14-1-3-16(4-2-14)26-18-7-10-25-13-17(18)20-19(24)11-21-8-5-15(23)6-9-21/h1-6,8-9,17-18,22H,7,10-13H2,(H,20,24)/t17-,18-/m1/s1
InChIKeyKMESOFXKVISADR-QZTJIDSGSA-N
MW358.39 g/mol
LogP0.69
Rot. Bonds6

About N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-2-(4-oxo-1-pyridinyl)acetamide

N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-2-(4-oxo-1-pyridinyl)acetamide (PubChem CID 91767933) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-2-(4-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-2-(4-oxo-1-pyridinyl)acetamide
PubChem CID91767933
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-2-(4-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1ccc(=O)cc1)N[C@@H]1COCC[C@H]1Oc1ccc(CO)cc1
InChIInChI=1S/C19H22N2O5/c22-12-14-1-3-16(4-2-14)26-18-7-10-25-13-17(18)20-19(24)11-21-8-5-15(23)6-9-21/h1-6,8-9,17-18,22H,7,10-13H2,(H,20,24)/t17-,18-/m1/s1
InChIKeyKMESOFXKVISADR-QZTJIDSGSA-N
XLogP0.69
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide
CID 91784559
2-(4-oxo-1-pyridinyl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide
CID 91788892
N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-5-methylthiophene-2-carboxamide
CID 91785262
N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 91762021
N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]morpholine-4-carboxamide
CID 91764139
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide
CID 91769787
N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]cycloheptanecarboxamide
CID 91771255
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 91772381
N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]-3-(tetrazol-1-yl)propanamide
CID 91769243
4-[3-[[2-(dimethylamino)acetyl]amino]oxan-4-yl]oxybenzamide
CID 156608507
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-2-(1,2,4-triazol-4-yl)acetamide
CID 91765784
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 91797996

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-2-(4-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-2-(4-oxo-1-pyridinyl)acetamide (CID 91767933) is N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-2-(4-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-2-(4-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-2-(4-oxo-1-pyridinyl)acetamide is O=C(Cn1ccc(=O)cc1)N[C@@H]1COCC[C@H]1Oc1ccc(CO)cc1.
What is the InChIKey of N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-2-(4-oxo-1-pyridinyl)acetamide?
The InChIKey is KMESOFXKVISADR-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H22N2O5/c22-12-14-1-3-16(4-2-14)26-18-7-10-25-13-17(18)20-19(24)11-21-8-5-15(23)6-9-21/h1-6,8-9,17-18,22H,7,10-13H2,(H,20,24)/t17-,18-/m1/s1.
What are the key properties of N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-2-(4-oxo-1-pyridinyl)acetamide?
N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-2-(4-oxo-1-pyridinyl)acetamide has a molecular weight of 358.39 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-2-(4-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 91767933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).