[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate

C21H24N2O5 — CID 7884860

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCC(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C21H24N2O5/c1-3-27-18-11-9-17(10-12-18)21(26)22-13-20(25)28-15-19(24)23(2)14-16-7-5-4-6-8-16/h4-12H,3,13-15H2,1-2H3,(H,22,26)
InChIKeyKOYJMKKHWBGGBN-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.02
Rot. Bonds9

About [2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate

[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate (PubChem CID 7884860) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
PubChem CID7884860
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCC(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C21H24N2O5/c1-3-27-18-11-9-17(10-12-18)21(26)22-13-20(25)28-15-19(24)23(2)14-16-7-5-4-6-8-16/h4-12H,3,13-15H2,1-2H3,(H,22,26)
InChIKeyKOYJMKKHWBGGBN-UHFFFAOYSA-N
XLogP2.02
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884679
N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-methylbenzamide
CID 24546571
4-ethoxy-N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 51162813
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 30552687
N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]naphthalene-2-carboxamide
CID 24546581
[2-[benzyl(methyl)amino]-2-oxoethyl] propanoate
CID 57155799
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884920
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884921
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884932
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884691
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909197
[2-(dimethylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8834418

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate (CID 7884860) is [2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)OCC(=O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The InChIKey is KOYJMKKHWBGGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-3-27-18-11-9-17(10-12-18)21(26)22-13-20(25)28-15-19(24)23(2)14-16-7-5-4-6-8-16/h4-12H,3,13-15H2,1-2H3,(H,22,26).
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate has a molecular weight of 384.43 g/mol, XLogP of 2.02, 9 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] 2-[(4-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 7884860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).