methyl 2-[(2,3-difluorophenyl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate

C19H21F2NO4 — CID 47548923

IUPACmethyl 2-[(2,3-difluorophenyl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate
SMILESCOC(=O)CN(Cc1cc(OC)cc(OC)c1)Cc1cccc(F)c1F
InChIInChI=1S/C19H21F2NO4/c1-24-15-7-13(8-16(9-15)25-2)10-22(12-18(23)26-3)11-14-5-4-6-17(20)19(14)21/h4-9H,10-12H2,1-3H3
InChIKeyKWMMNISURJLCJH-UHFFFAOYSA-N
MW365.38 g/mol
LogP3.16
Rot. Bonds8

About methyl 2-[(2,3-difluorophenyl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate

methyl 2-[(2,3-difluorophenyl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate (PubChem CID 47548923) has the molecular formula C19H21F2NO4 and a molecular weight of 365.38 g/mol. Its IUPAC name is methyl 2-[(2,3-difluorophenyl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,3-difluorophenyl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate
PubChem CID47548923
Molecular FormulaC19H21F2NO4
Molecular Weight365.38 g/mol
Exact Mass365.14
IUPAC Namemethyl 2-[(2,3-difluorophenyl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate
SMILESCOC(=O)CN(Cc1cc(OC)cc(OC)c1)Cc1cccc(F)c1F
InChIInChI=1S/C19H21F2NO4/c1-24-15-7-13(8-16(9-15)25-2)10-22(12-18(23)26-3)11-14-5-4-6-17(20)19(14)21/h4-9H,10-12H2,1-3H3
InChIKeyKWMMNISURJLCJH-UHFFFAOYSA-N
XLogP3.16
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2,3-dihydro-1H-indol-7-ylmethyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate;hydrochloride
CID 120848006
methyl 2-[(3-chloro-2-fluorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 103885183
methyl 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetate
CID 47548926
methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propylamino]acetate
CID 104794477
methyl 2-[(5-chloroquinolin-8-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate
CID 60585076
methyl 2-[(2-chloro-3-fluorophenyl)methyl-ethylamino]acetate
CID 112550265
N-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 18078741
2-[[2-(2,6-difluorophenyl)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 120518105
methyl 2-[[5-(aminomethyl)-2-fluorophenyl]methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 63382910
methyl 4-(2,3-difluorophenyl)-3-oxobutanoate
CID 45156338
methyl 2-[(3,5-dimethoxyphenyl)methyl-[(Z)-4,4,4-trifluoro-3-phenylbut-2-enoyl]amino]acetate
CID 56507766
methyl 2-[[3-(2-cyanoanilino)-3-oxopropyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetate
CID 56526040

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,3-difluorophenyl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate?
The IUPAC name of methyl 2-[(2,3-difluorophenyl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate (CID 47548923) is methyl 2-[(2,3-difluorophenyl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[(2,3-difluorophenyl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[(2,3-difluorophenyl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate is COC(=O)CN(Cc1cc(OC)cc(OC)c1)Cc1cccc(F)c1F.
What is the InChIKey of methyl 2-[(2,3-difluorophenyl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate?
The InChIKey is KWMMNISURJLCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO4/c1-24-15-7-13(8-16(9-15)25-2)10-22(12-18(23)26-3)11-14-5-4-6-17(20)19(14)21/h4-9H,10-12H2,1-3H3.
What are the key properties of methyl 2-[(2,3-difluorophenyl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate?
methyl 2-[(2,3-difluorophenyl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate has a molecular weight of 365.38 g/mol, XLogP of 3.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,3-difluorophenyl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate is sourced from PubChem (CID 47548923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).