methyl 2-(4-fluoro-3-methylphenyl)-2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetate

C20H23FN2O4 — CID 86795591

IUPACmethyl 2-(4-fluoro-3-methylphenyl)-2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetate
SMILESCOC(=O)C(NCC(=O)NCc1ccc(OC)cc1)c1ccc(F)c(C)c1
InChIInChI=1S/C20H23FN2O4/c1-13-10-15(6-9-17(13)21)19(20(25)27-3)23-12-18(24)22-11-14-4-7-16(26-2)8-5-14/h4-10,19,23H,11-12H2,1-3H3,(H,22,24)
InChIKeyMWOHWNHOISQYHL-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.26
Rot. Bonds8

About methyl 2-(4-fluoro-3-methylphenyl)-2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetate

methyl 2-(4-fluoro-3-methylphenyl)-2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetate (PubChem CID 86795591) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is methyl 2-(4-fluoro-3-methylphenyl)-2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-(4-fluoro-3-methylphenyl)-2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetate
PubChem CID86795591
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Namemethyl 2-(4-fluoro-3-methylphenyl)-2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetate
SMILESCOC(=O)C(NCC(=O)NCc1ccc(OC)cc1)c1ccc(F)c(C)c1
InChIInChI=1S/C20H23FN2O4/c1-13-10-15(6-9-17(13)21)19(20(25)27-3)23-12-18(24)22-11-14-4-7-16(26-2)8-5-14/h4-10,19,23H,11-12H2,1-3H3,(H,22,24)
InChIKeyMWOHWNHOISQYHL-UHFFFAOYSA-N
XLogP2.26
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-(4-fluoro-3-methylphenyl)-2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 52758428
N-[(4-fluoro-3-methylphenyl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 29304367
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9133571
2-(5-acetamido-2-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 37262693
ethyl 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetate
CID 62121338
methyl (2R)-2-(4-fluoro-3-methylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetate
CID 99784787
N-[(4-methoxyphenyl)methyl]-2-(2,4,6-trimethylanilino)acetamide
CID 54812010
3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 39089240
N-[(4-methoxyphenyl)methyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131857
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110285268
2-(2-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide
CID 48502002
N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 62121628

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluoro-3-methylphenyl)-2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetate?
The IUPAC name of methyl 2-(4-fluoro-3-methylphenyl)-2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetate (CID 86795591) is methyl 2-(4-fluoro-3-methylphenyl)-2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetate.
What is the SMILES notation for methyl 2-(4-fluoro-3-methylphenyl)-2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetate?
The canonical SMILES for methyl 2-(4-fluoro-3-methylphenyl)-2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetate is COC(=O)C(NCC(=O)NCc1ccc(OC)cc1)c1ccc(F)c(C)c1.
What is the InChIKey of methyl 2-(4-fluoro-3-methylphenyl)-2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetate?
The InChIKey is MWOHWNHOISQYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-13-10-15(6-9-17(13)21)19(20(25)27-3)23-12-18(24)22-11-14-4-7-16(26-2)8-5-14/h4-10,19,23H,11-12H2,1-3H3,(H,22,24).
What are the key properties of methyl 2-(4-fluoro-3-methylphenyl)-2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetate?
methyl 2-(4-fluoro-3-methylphenyl)-2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetate has a molecular weight of 374.41 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluoro-3-methylphenyl)-2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetate is sourced from PubChem (CID 86795591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).