[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate

C20H21N3O5 — CID 55503709

IUPAC[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate
SMILESCOc1ccccc1CNC(=O)COC(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C20H21N3O5/c1-22-15-8-4-5-9-16(15)23(20(22)26)12-19(25)28-13-18(24)21-11-14-7-3-6-10-17(14)27-2/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeyFRIGUIMSDMHTDF-UHFFFAOYSA-N
MW383.40 g/mol
LogP1.21
Rot. Bonds7

About [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate (PubChem CID 55503709) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate
PubChem CID55503709
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate
SMILESCOc1ccccc1CNC(=O)COC(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C20H21N3O5/c1-22-15-8-4-5-9-16(15)23(20(22)26)12-19(25)28-13-18(24)21-11-14-7-3-6-10-17(14)27-2/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeyFRIGUIMSDMHTDF-UHFFFAOYSA-N
XLogP1.21
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 24611766
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate
CID 35776787
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-phenylpropanoate
CID 7958312
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995429
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate
CID 55503576
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 8905581
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate
CID 8019538
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 8002848
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7879185
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8535069
2-(1,2-dimethylindol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110768838
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate (CID 55503709) is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate is COc1ccccc1CNC(=O)COC(=O)Cn1c(=O)n(C)c2ccccc21.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate?
The InChIKey is FRIGUIMSDMHTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-22-15-8-4-5-9-16(15)23(20(22)26)12-19(25)28-13-18(24)21-11-14-7-3-6-10-17(14)27-2/h3-10H,11-13H2,1-2H3,(H,21,24).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate?
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate has a molecular weight of 383.40 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate is sourced from PubChem (CID 55503709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).