1-(4-fluoro-2-propoxyphenyl)propan-2-yl 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]acetate

C23H27FN2O7 — CID 155148772

IUPAC1-(4-fluoro-2-propoxyphenyl)propan-2-yl 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]acetate
SMILESCCCOc1cc(F)ccc1CC(C)OC(=O)CNC(=O)c1nccc(OC)c1OC(C)=O
InChIInChI=1S/C23H27FN2O7/c1-5-10-31-19-12-17(24)7-6-16(19)11-14(2)32-20(28)13-26-23(29)21-22(33-15(3)27)18(30-4)8-9-25-21/h6-9,12,14H,5,10-11,13H2,1-4H3,(H,26,29)
InChIKeyUXSWZWVPBPQSLQ-UHFFFAOYSA-N
MW462.47 g/mol
LogP2.85
Rot. Bonds11

About 1-(4-fluoro-2-propoxyphenyl)propan-2-yl 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]acetate

1-(4-fluoro-2-propoxyphenyl)propan-2-yl 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]acetate (PubChem CID 155148772) has the molecular formula C23H27FN2O7 and a molecular weight of 462.47 g/mol. Its IUPAC name is 1-(4-fluoro-2-propoxyphenyl)propan-2-yl 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name1-(4-fluoro-2-propoxyphenyl)propan-2-yl 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]acetate
PubChem CID155148772
Molecular FormulaC23H27FN2O7
Molecular Weight462.47 g/mol
Exact Mass462.18
IUPAC Name1-(4-fluoro-2-propoxyphenyl)propan-2-yl 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]acetate
SMILESCCCOc1cc(F)ccc1CC(C)OC(=O)CNC(=O)c1nccc(OC)c1OC(C)=O
InChIInChI=1S/C23H27FN2O7/c1-5-10-31-19-12-17(24)7-6-16(19)11-14(2)32-20(28)13-26-23(29)21-22(33-15(3)27)18(30-4)8-9-25-21/h6-9,12,14H,5,10-11,13H2,1-4H3,(H,26,29)
InChIKeyUXSWZWVPBPQSLQ-UHFFFAOYSA-N
XLogP2.85
TPSA113.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-(2,2-difluoroethoxy)-4-fluorophenyl]propan-2-yl 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]acetate;phenol
CID 145115620
1-(4-fluoro-2-methoxyphenyl)propan-2-yl 2-[[3-(acetyloxymethoxy)-4-methoxypyridine-2-carbonyl]amino]acetate;phenol
CID 145115678
1-(2-chloro-4-fluorophenyl)propan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate
CID 145115749
1-(4-fluoro-2-phenoxyphenyl)propan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate
CID 155148765
[3-(4-fluoro-2-methylphenyl)-1-phenylbutan-2-yl] 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]acetate
CID 142299078
1-(2-chloro-4-fluorophenyl)propan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbothioyl)amino]acetate
CID 142298998
(2-carbamoyl-4-methoxy-3-pyridinyl) acetate;1-fluoro-3-methylbenzene;1-(4-fluorophenyl)propan-2-yl propanoate
CID 145114250
[(1S,2S)-1-(2,4-difluorophenyl)-1-(4-fluoro-2-methoxyphenyl)propan-2-yl] (2S)-2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121463752
[(2S)-1-propoxypropan-2-yl] (2R)-4-(3-acetyloxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate
CID 147944029
hexan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate
CID 146481386
1-(4-fluorophenyl)propan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbothioyl)amino]acetate
CID 142298942
[(1R,2S)-1-cyclohexyl-1-(4-fluoro-2-methoxyphenyl)propan-2-yl] (2S)-2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 135199221

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-propoxyphenyl)propan-2-yl 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]acetate?
The IUPAC name of 1-(4-fluoro-2-propoxyphenyl)propan-2-yl 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]acetate (CID 155148772) is 1-(4-fluoro-2-propoxyphenyl)propan-2-yl 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]acetate.
What is the SMILES notation for 1-(4-fluoro-2-propoxyphenyl)propan-2-yl 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]acetate?
The canonical SMILES for 1-(4-fluoro-2-propoxyphenyl)propan-2-yl 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]acetate is CCCOc1cc(F)ccc1CC(C)OC(=O)CNC(=O)c1nccc(OC)c1OC(C)=O.
What is the InChIKey of 1-(4-fluoro-2-propoxyphenyl)propan-2-yl 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]acetate?
The InChIKey is UXSWZWVPBPQSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O7/c1-5-10-31-19-12-17(24)7-6-16(19)11-14(2)32-20(28)13-26-23(29)21-22(33-15(3)27)18(30-4)8-9-25-21/h6-9,12,14H,5,10-11,13H2,1-4H3,(H,26,29).
What are the key properties of 1-(4-fluoro-2-propoxyphenyl)propan-2-yl 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]acetate?
1-(4-fluoro-2-propoxyphenyl)propan-2-yl 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]acetate has a molecular weight of 462.47 g/mol, XLogP of 2.85, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-propoxyphenyl)propan-2-yl 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]acetate is sourced from PubChem (CID 155148772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).