(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;3-fluorophenol;1-phenylpropan-2-yl 3-phenylpropanoate

C34H37FN2O8 — CID 145115673

IUPAC(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;3-fluorophenol;1-phenylpropan-2-yl 3-phenylpropanoate
SMILESCC(Cc1ccccc1)OC(=O)CCc1ccccc1.COc1ccnc(C(N)=O)c1OCOC(C)=O.Oc1cccc(F)c1
InChIInChI=1S/C18H20O2.C10H12N2O5.C6H5FO/c1-15(14-17-10-6-3-7-11-17)20-18(19)13-12-16-8-4-2-5-9-16;1-6(13)16-5-17-9-7(15-2)3-4-12-8(9)10(11)14;7-5-2-1-3-6(8)4-5/h2-11,15H,12-14H2,1H3;3-4H,5H2,1-2H3,(H2,11,14);1-4,8H
InChIKeyMDQWFHAGAARYTN-UHFFFAOYSA-N
MW620.67 g/mol
LogP5.41
Rot. Bonds11

About (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;3-fluorophenol;1-phenylpropan-2-yl 3-phenylpropanoate

(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;3-fluorophenol;1-phenylpropan-2-yl 3-phenylpropanoate (PubChem CID 145115673) has the molecular formula C34H37FN2O8 and a molecular weight of 620.67 g/mol. Its IUPAC name is (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;3-fluorophenol;1-phenylpropan-2-yl 3-phenylpropanoate.

Molecular Properties

Compound Name(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;3-fluorophenol;1-phenylpropan-2-yl 3-phenylpropanoate
PubChem CID145115673
Molecular FormulaC34H37FN2O8
Molecular Weight620.67 g/mol
Exact Mass620.25
IUPAC Name(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;3-fluorophenol;1-phenylpropan-2-yl 3-phenylpropanoate
SMILESCC(Cc1ccccc1)OC(=O)CCc1ccccc1.COc1ccnc(C(N)=O)c1OCOC(C)=O.Oc1cccc(F)c1
InChIInChI=1S/C18H20O2.C10H12N2O5.C6H5FO/c1-15(14-17-10-6-3-7-11-17)20-18(19)13-12-16-8-4-2-5-9-16;1-6(13)16-5-17-9-7(15-2)3-4-12-8(9)10(11)14;7-5-2-1-3-6(8)4-5/h2-11,15H,12-14H2,1H3;3-4H,5H2,1-2H3,(H2,11,14);1-4,8H
InChIKeyMDQWFHAGAARYTN-UHFFFAOYSA-N
XLogP5.41
TPSA147.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.67
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;3-fluorophenol;1-phenylpropan-2-yl 3-phenylpropanoate with MolForge

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Launch Full Analysis

Related Compounds

1-(4-fluoro-2-methoxyphenyl)propan-2-yl 2-[[3-(acetyloxymethoxy)-4-methoxypyridine-2-carbonyl]amino]acetate;phenol
CID 145115678
(2-carbamoyl-4-methoxy-3-pyridinyl) acetate;1-fluoro-3-methylbenzene;1-(4-fluorophenyl)propan-2-yl propanoate
CID 145114250
(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;2,5-difluorophenol;4-methylpentan-2-yl propanoate
CID 145114555
(2-carbamoyl-4-methoxy-3-pyridinyl) acetate;1-cyclopentylpropan-2-yl propanoate;3-fluorophenol
CID 145114691
(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;1-fluoro-4-methylbenzene;(4-methoxy-4-methylpentan-2-yl) propanoate
CID 145115148
benzene;1-(4-fluorophenyl)propan-2-yl propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide
CID 145114321
butane;3-hydroxy-4-methoxypyridine-2-carboxamide;1-phenylpropan-2-yl propanoate
CID 145115424
[(2S)-1-phenylmethoxypropan-2-yl] (2R)-4-[3-(acetyloxymethoxy)-4-methoxy-2-pyridinyl]-2-methyl-4-oxobutanoate
CID 162254495
(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;propanal
CID 142237807
2-benzyl-1-methoxy-4-methylbenzene;(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;molecular hydrogen;[(2S)-4-propoxybutan-2-yl] propanoate
CID 145115294
4-fluorophenol;3-hydroxy-4-methoxypyridine-2-carboxamide;1-(4-methylphenyl)propan-2-yl propanoate
CID 145115616
[(2S,3R)-3-[(4-fluorophenyl)methyl]-4-phenylmethoxybutan-2-yl] (2S)-2-[[3-(acetyloxymethoxy)-4-methoxypyridine-2-carbonyl]amino]propanoate
CID 121462834

Frequently Asked Questions

What is the IUPAC name of (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;3-fluorophenol;1-phenylpropan-2-yl 3-phenylpropanoate?
The IUPAC name of (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;3-fluorophenol;1-phenylpropan-2-yl 3-phenylpropanoate (CID 145115673) is (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;3-fluorophenol;1-phenylpropan-2-yl 3-phenylpropanoate.
What is the SMILES notation for (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;3-fluorophenol;1-phenylpropan-2-yl 3-phenylpropanoate?
The canonical SMILES for (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;3-fluorophenol;1-phenylpropan-2-yl 3-phenylpropanoate is CC(Cc1ccccc1)OC(=O)CCc1ccccc1.COc1ccnc(C(N)=O)c1OCOC(C)=O.Oc1cccc(F)c1.
What is the InChIKey of (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;3-fluorophenol;1-phenylpropan-2-yl 3-phenylpropanoate?
The InChIKey is MDQWFHAGAARYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2.C10H12N2O5.C6H5FO/c1-15(14-17-10-6-3-7-11-17)20-18(19)13-12-16-8-4-2-5-9-16;1-6(13)16-5-17-9-7(15-2)3-4-12-8(9)10(11)14;7-5-2-1-3-6(8)4-5/h2-11,15H,12-14H2,1H3;3-4H,5H2,1-2H3,(H2,11,14);1-4,8H.
What are the key properties of (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;3-fluorophenol;1-phenylpropan-2-yl 3-phenylpropanoate?
(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;3-fluorophenol;1-phenylpropan-2-yl 3-phenylpropanoate has a molecular weight of 620.67 g/mol, XLogP of 5.41, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;3-fluorophenol;1-phenylpropan-2-yl 3-phenylpropanoate is sourced from PubChem (CID 145115673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).