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

C23H28N2O5 — CID 7884679

IUPAC[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCC(=O)N(Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C23H28N2O5/c1-4-29-20-12-10-19(11-13-20)23(28)24-14-22(27)30-16-21(26)25(17(2)3)15-18-8-6-5-7-9-18/h5-13,17H,4,14-16H2,1-3H3,(H,24,28)
InChIKeyGXYDZQWMAWNLPP-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.80
Rot. Bonds10

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

[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate (PubChem CID 7884679) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
PubChem CID7884679
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCC(=O)N(Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C23H28N2O5/c1-4-29-20-12-10-19(11-13-20)23(28)24-14-22(27)30-16-21(26)25(17(2)3)15-18-8-6-5-7-9-18/h5-13,17H,4,14-16H2,1-3H3,(H,24,28)
InChIKeyGXYDZQWMAWNLPP-UHFFFAOYSA-N
XLogP2.80
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884860
[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-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492415
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 27928826
[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7899514
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884932
N-benzyl-2-[(2-phenoxyacetyl)amino]-N-propan-2-ylacetamide
CID 112995071
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884691
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884943
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 5099591
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884698

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The IUPAC name of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate (CID 7884679) is [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)OCC(=O)N(Cc2ccccc2)C(C)C)cc1.
What is the InChIKey of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The InChIKey is GXYDZQWMAWNLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-4-29-20-12-10-19(11-13-20)23(28)24-14-22(27)30-16-21(26)25(17(2)3)15-18-8-6-5-7-9-18/h5-13,17H,4,14-16H2,1-3H3,(H,24,28).
What are the key properties of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate has a molecular weight of 412.49 g/mol, XLogP of 2.80, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 7884679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).