(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;2,5-difluorophenol;4-methylpentan-2-yl propanoate

C25H34F2N2O8 — CID 145114555

IUPAC(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;2,5-difluorophenol;4-methylpentan-2-yl propanoate
SMILESCCC(=O)OC(C)CC(C)C.COc1ccnc(C(N)=O)c1OCOC(C)=O.Oc1cc(F)ccc1F
InChIInChI=1S/C10H12N2O5.C9H18O2.C6H4F2O/c1-6(13)16-5-17-9-7(15-2)3-4-12-8(9)10(11)14;1-5-9(10)11-8(4)6-7(2)3;7-4-1-2-5(8)6(9)3-4/h3-4H,5H2,1-2H3,(H2,11,14);7-8H,5-6H2,1-4H3;1-3,9H
InChIKeyPRCZBDWKXLAKCG-UHFFFAOYSA-N
MW528.55 g/mol
LogP4.13
Rot. Bonds9

About (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;2,5-difluorophenol;4-methylpentan-2-yl propanoate

(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;2,5-difluorophenol;4-methylpentan-2-yl propanoate (PubChem CID 145114555) has the molecular formula C25H34F2N2O8 and a molecular weight of 528.55 g/mol. Its IUPAC name is (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;2,5-difluorophenol;4-methylpentan-2-yl propanoate.

Molecular Properties

Compound Name(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;2,5-difluorophenol;4-methylpentan-2-yl propanoate
PubChem CID145114555
Molecular FormulaC25H34F2N2O8
Molecular Weight528.55 g/mol
Exact Mass528.23
IUPAC Name(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;2,5-difluorophenol;4-methylpentan-2-yl propanoate
SMILESCCC(=O)OC(C)CC(C)C.COc1ccnc(C(N)=O)c1OCOC(C)=O.Oc1cc(F)ccc1F
InChIInChI=1S/C10H12N2O5.C9H18O2.C6H4F2O/c1-6(13)16-5-17-9-7(15-2)3-4-12-8(9)10(11)14;1-5-9(10)11-8(4)6-7(2)3;7-4-1-2-5(8)6(9)3-4/h3-4H,5H2,1-2H3,(H2,11,14);7-8H,5-6H2,1-4H3;1-3,9H
InChIKeyPRCZBDWKXLAKCG-UHFFFAOYSA-N
XLogP4.13
TPSA147.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.55
LogP ≤ 54.13
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;2,5-difluorophenol;4-methylpentan-2-yl propanoate with MolForge

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Launch Full Analysis

Related Compounds

(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;1-fluoro-4-methylbenzene;(4-methoxy-4-methylpentan-2-yl) propanoate
CID 145115148
(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;1-cyclopentylpropan-2-yl propanoate;2-methylpropan-1-ol
CID 145114784
(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;3-fluorophenol;1-phenylpropan-2-yl 3-phenylpropanoate
CID 145115673
(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;propanal
CID 142237807
(2-carbamoyl-4-methoxy-3-pyridinyl) acetate;1-cyclopentylpropan-2-yl propanoate;3-fluorophenol
CID 145114691
benzene;1-(4-fluorophenyl)propan-2-yl propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide
CID 145114321
1-(4-fluoro-2-methoxyphenyl)propan-2-yl 2-[[3-(acetyloxymethoxy)-4-methoxypyridine-2-carbonyl]amino]acetate;phenol
CID 145115678
1,1-bis(2,3-dimethoxyphenyl)propan-2-yl propanoate;(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl 2-methylpropanoate
CID 145114247
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
[5-ethoxy-4-(4-methylphenoxy)pentan-2-yl] propanoate;1-fluoro-4-methylbenzene;3-hydroxy-4-methoxypyridine-2-carboxamide
CID 145115246

Frequently Asked Questions

What is the IUPAC name of (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;2,5-difluorophenol;4-methylpentan-2-yl propanoate?
The IUPAC name of (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;2,5-difluorophenol;4-methylpentan-2-yl propanoate (CID 145114555) is (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;2,5-difluorophenol;4-methylpentan-2-yl propanoate.
What is the SMILES notation for (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;2,5-difluorophenol;4-methylpentan-2-yl propanoate?
The canonical SMILES for (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;2,5-difluorophenol;4-methylpentan-2-yl propanoate is CCC(=O)OC(C)CC(C)C.COc1ccnc(C(N)=O)c1OCOC(C)=O.Oc1cc(F)ccc1F.
What is the InChIKey of (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;2,5-difluorophenol;4-methylpentan-2-yl propanoate?
The InChIKey is PRCZBDWKXLAKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5.C9H18O2.C6H4F2O/c1-6(13)16-5-17-9-7(15-2)3-4-12-8(9)10(11)14;1-5-9(10)11-8(4)6-7(2)3;7-4-1-2-5(8)6(9)3-4/h3-4H,5H2,1-2H3,(H2,11,14);7-8H,5-6H2,1-4H3;1-3,9H.
What are the key properties of (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;2,5-difluorophenol;4-methylpentan-2-yl propanoate?
(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;2,5-difluorophenol;4-methylpentan-2-yl propanoate has a molecular weight of 528.55 g/mol, XLogP of 4.13, 9 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;2,5-difluorophenol;4-methylpentan-2-yl propanoate is sourced from PubChem (CID 145114555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).