[2-[benzyl(methyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate

C19H20N2O5 — CID 8678279

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C19H20N2O5/c1-21(11-14-5-3-2-4-6-14)18(23)13-26-19(24)15-7-9-16(10-8-15)25-12-17(20)22/h2-10H,11-13H2,1H3,(H2,20,22)
InChIKeyDKZNRLFGRYWFIU-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.37
Rot. Bonds8

About [2-[benzyl(methyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate

[2-[benzyl(methyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate (PubChem CID 8678279) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
PubChem CID8678279
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C19H20N2O5/c1-21(11-14-5-3-2-4-6-14)18(23)13-26-19(24)15-7-9-16(10-8-15)25-12-17(20)22/h2-10H,11-13H2,1H3,(H2,20,22)
InChIKeyDKZNRLFGRYWFIU-UHFFFAOYSA-N
XLogP1.37
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7432025
(2-amino-2-oxoethyl) 4-phenylmethoxybenzoate
CID 2607609
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-benzoylbenzoate
CID 7203975
[2-[benzyl(methyl)amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557613
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7628990
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558699
[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678967
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884860
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2381043
[2-(N-ethyl-2-methylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 18128442
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 7770411
[2-[benzyl(methyl)amino]-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
CID 2119073

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate (CID 8678279) is [2-[benzyl(methyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate is CN(Cc1ccccc1)C(=O)COC(=O)c1ccc(OCC(N)=O)cc1.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate?
The InChIKey is DKZNRLFGRYWFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-21(11-14-5-3-2-4-6-14)18(23)13-26-19(24)15-7-9-16(10-8-15)25-12-17(20)22/h2-10H,11-13H2,1H3,(H2,20,22).
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate?
[2-[benzyl(methyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate has a molecular weight of 356.38 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate is sourced from PubChem (CID 8678279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).