N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

C19H23N3O4 — CID 165030937

IUPACN-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
SMILES[2H]C([2H])([2H])O[C@@H]1[C@H](C)[C@@H](CC)O[C@H]1n1ccc(NC(=O)c2ccccc2)nc1=O
InChIInChI=1S/C19H23N3O4/c1-4-14-12(2)16(25-3)18(26-14)22-11-10-15(21-19(22)24)20-17(23)13-8-6-5-7-9-13/h5-12,14,16,18H,4H2,1-3H3,(H,20,21,23,24)/t12-,14-,16-,18-/m1/s1/i3D3
InChIKeyWPHHHKLEURMXLU-ZVLFZEBKSA-N
MW360.43 g/mol
LogP2.45
Rot. Bonds6

About N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide (PubChem CID 165030937) has the molecular formula C19H23N3O4 and a molecular weight of 360.43 g/mol. Its IUPAC name is N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
PubChem CID165030937
Molecular FormulaC19H23N3O4
Molecular Weight360.43 g/mol
Exact Mass360.19
IUPAC NameN-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
SMILES[2H]C([2H])([2H])O[C@@H]1[C@H](C)[C@@H](CC)O[C@H]1n1ccc(NC(=O)c2ccccc2)nc1=O
InChIInChI=1S/C19H23N3O4/c1-4-14-12(2)16(25-3)18(26-14)22-11-10-15(21-19(22)24)20-17(23)13-8-6-5-7-9-13/h5-12,14,16,18H,4H2,1-3H3,(H,20,21,23,24)/t12-,14-,16-,18-/m1/s1/i3D3
InChIKeyWPHHHKLEURMXLU-ZVLFZEBKSA-N
XLogP2.45
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2R,3R,4R,5R)-5-ethyl-4-hydroxy-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 165030936
N-[1-[(2R,3R,4R,5R)-5-(1,1-dideuterioethyl)-4-hydroxy-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 165030932
[(2R,3R,4R,5R)-2-(4-benzamido-2-oxopyrimidin-1-yl)-4-methyl-5-propan-2-yloxolan-3-yl] benzoate
CID 66804337
N-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-propoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 22874774
4-amino-1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-hydroxy-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidine-2,4-dione
CID 167602474
sodium;4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;hydroxide
CID 161338371
N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 13161410
N-[1-[(2S,3R,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 10853795
N-[1-[(1S,2S,4S,5R)-4-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 101017194
N-[1-[(2R,3S,5S)-5-(hydroxymethyl)-3-methoxy-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
CID 130474505
N-[1-[5-(bromomethyl)-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 71336668
N-[2-oxo-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxy(113C)methyl)(2,3,4,5,6-13C5)oxan-2-yl](613C,1,3-15N2)pyrimidin-4-yl](15N)benzamide
CID 10271516

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide?
The IUPAC name of N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide (CID 165030937) is N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide?
The canonical SMILES for N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide is [2H]C([2H])([2H])O[C@@H]1[C@H](C)[C@@H](CC)O[C@H]1n1ccc(NC(=O)c2ccccc2)nc1=O.
What is the InChIKey of N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide?
The InChIKey is WPHHHKLEURMXLU-ZVLFZEBKSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-4-14-12(2)16(25-3)18(26-14)22-11-10-15(21-19(22)24)20-17(23)13-8-6-5-7-9-13/h5-12,14,16,18H,4H2,1-3H3,(H,20,21,23,24)/t12-,14-,16-,18-/m1/s1/i3D3.
What are the key properties of N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide?
N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide has a molecular weight of 360.43 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide is sourced from PubChem (CID 165030937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).