methyl 2-[[1-[(2-fluoro-6-methoxyphenyl)methylamino]-3-methoxy-2-methyl-1-oxopropan-2-yl]amino]acetate

C16H23FN2O5 — CID 169127381

IUPACmethyl 2-[[1-[(2-fluoro-6-methoxyphenyl)methylamino]-3-methoxy-2-methyl-1-oxopropan-2-yl]amino]acetate
SMILESCOCC(C)(NCC(=O)OC)C(=O)NCc1c(F)cccc1OC
InChIInChI=1S/C16H23FN2O5/c1-16(10-22-2,19-9-14(20)24-4)15(21)18-8-11-12(17)6-5-7-13(11)23-3/h5-7,19H,8-10H2,1-4H3,(H,18,21)
InChIKeyJYJSGURLENIZOH-UHFFFAOYSA-N
MW342.37 g/mol
LogP0.62
Rot. Bonds9

About methyl 2-[[1-[(2-fluoro-6-methoxyphenyl)methylamino]-3-methoxy-2-methyl-1-oxopropan-2-yl]amino]acetate

methyl 2-[[1-[(2-fluoro-6-methoxyphenyl)methylamino]-3-methoxy-2-methyl-1-oxopropan-2-yl]amino]acetate (PubChem CID 169127381) has the molecular formula C16H23FN2O5 and a molecular weight of 342.37 g/mol. Its IUPAC name is methyl 2-[[1-[(2-fluoro-6-methoxyphenyl)methylamino]-3-methoxy-2-methyl-1-oxopropan-2-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-[(2-fluoro-6-methoxyphenyl)methylamino]-3-methoxy-2-methyl-1-oxopropan-2-yl]amino]acetate
PubChem CID169127381
Molecular FormulaC16H23FN2O5
Molecular Weight342.37 g/mol
Exact Mass342.16
IUPAC Namemethyl 2-[[1-[(2-fluoro-6-methoxyphenyl)methylamino]-3-methoxy-2-methyl-1-oxopropan-2-yl]amino]acetate
SMILESCOCC(C)(NCC(=O)OC)C(=O)NCc1c(F)cccc1OC
InChIInChI=1S/C16H23FN2O5/c1-16(10-22-2,19-9-14(20)24-4)15(21)18-8-11-12(17)6-5-7-13(11)23-3/h5-7,19H,8-10H2,1-4H3,(H,18,21)
InChIKeyJYJSGURLENIZOH-UHFFFAOYSA-N
XLogP0.62
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[1-[(2-fluoro-6-methoxyphenyl)methylamino]-3-methoxy-2-methyl-1-oxopropan-2-yl]amino]acetate with MolForge

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Related Compounds

N-[(2,6-dimethoxyphenyl)methyl]acetamide
CID 18718180
2-[acetyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-[(2-fluoro-6-methoxyphenyl)methyl]-3-hydroxy-2-methylpropanamide
CID 169127370
1-[(2-fluoro-6-methoxyphenyl)methyl]-3-(2-nitrosoethyl)thiourea
CID 87094339
methyl 2-[[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetate
CID 97334412
2-[(2,6-dimethoxyphenyl)methylamino]-2-oxoacetic acid
CID 172819588
methyl 2-[(2,6-difluorophenyl)methylamino]-2-methylpropanoate
CID 43725907
methyl 2-amino-3-(2-fluoro-6-methoxyphenyl)propanoate
CID 83810004
ethyl 3-(2-fluoro-6-methoxyphenyl)propanoate
CID 134640472
2-(2,3-difluorophenoxy)-3-methoxy-2-methylpropanoic acid
CID 114993101
N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 81483225
(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958
N-(2,6-difluorophenyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110438890

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[(2-fluoro-6-methoxyphenyl)methylamino]-3-methoxy-2-methyl-1-oxopropan-2-yl]amino]acetate?
The IUPAC name of methyl 2-[[1-[(2-fluoro-6-methoxyphenyl)methylamino]-3-methoxy-2-methyl-1-oxopropan-2-yl]amino]acetate (CID 169127381) is methyl 2-[[1-[(2-fluoro-6-methoxyphenyl)methylamino]-3-methoxy-2-methyl-1-oxopropan-2-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[1-[(2-fluoro-6-methoxyphenyl)methylamino]-3-methoxy-2-methyl-1-oxopropan-2-yl]amino]acetate?
The canonical SMILES for methyl 2-[[1-[(2-fluoro-6-methoxyphenyl)methylamino]-3-methoxy-2-methyl-1-oxopropan-2-yl]amino]acetate is COCC(C)(NCC(=O)OC)C(=O)NCc1c(F)cccc1OC.
What is the InChIKey of methyl 2-[[1-[(2-fluoro-6-methoxyphenyl)methylamino]-3-methoxy-2-methyl-1-oxopropan-2-yl]amino]acetate?
The InChIKey is JYJSGURLENIZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O5/c1-16(10-22-2,19-9-14(20)24-4)15(21)18-8-11-12(17)6-5-7-13(11)23-3/h5-7,19H,8-10H2,1-4H3,(H,18,21).
What are the key properties of methyl 2-[[1-[(2-fluoro-6-methoxyphenyl)methylamino]-3-methoxy-2-methyl-1-oxopropan-2-yl]amino]acetate?
methyl 2-[[1-[(2-fluoro-6-methoxyphenyl)methylamino]-3-methoxy-2-methyl-1-oxopropan-2-yl]amino]acetate has a molecular weight of 342.37 g/mol, XLogP of 0.62, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[(2-fluoro-6-methoxyphenyl)methylamino]-3-methoxy-2-methyl-1-oxopropan-2-yl]amino]acetate is sourced from PubChem (CID 169127381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).