[2-(3-ethylanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate

C24H24N2O4 — CID 8573254

IUPAC[2-(3-ethylanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
SMILESCCc1cccc(NC(=O)COC(=O)CNC(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C24H24N2O4/c1-2-17-7-5-11-20(13-17)26-23(28)16-30-24(29)15-25-22(27)14-19-10-6-9-18-8-3-4-12-21(18)19/h3-13H,2,14-16H2,1H3,(H,25,27)(H,26,28)
InChIKeyDWOOBNNDLMIHCI-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.24
Rot. Bonds8

About [2-(3-ethylanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate

[2-(3-ethylanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate (PubChem CID 8573254) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is [2-(3-ethylanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate.

Molecular Properties

Compound Name[2-(3-ethylanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
PubChem CID8573254
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name[2-(3-ethylanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
SMILESCCc1cccc(NC(=O)COC(=O)CNC(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C24H24N2O4/c1-2-17-7-5-11-20(13-17)26-23(28)16-30-24(29)15-25-22(27)14-19-10-6-9-18-8-3-4-12-21(18)19/h3-13H,2,14-16H2,1H3,(H,25,27)(H,26,28)
InChIKeyDWOOBNNDLMIHCI-UHFFFAOYSA-N
XLogP3.24
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-difluoroanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574084
[2-(3-ethylanilino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate
CID 55307635
[2-(4-ethylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8524003
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574218
[2-(3-methoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523970
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574089
benzyl 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetate
CID 7980388
[2-(cyclopropylamino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574122
[2-(3-ethylanilino)-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate
CID 7805318
[2-(4-acetamidoanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625330
[2-(3-ethylanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734350
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8573479

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate?
The IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate (CID 8573254) is [2-(3-ethylanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate.
What is the SMILES notation for [2-(3-ethylanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate?
The canonical SMILES for [2-(3-ethylanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate is CCc1cccc(NC(=O)COC(=O)CNC(=O)Cc2cccc3ccccc23)c1.
What is the InChIKey of [2-(3-ethylanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate?
The InChIKey is DWOOBNNDLMIHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-2-17-7-5-11-20(13-17)26-23(28)16-30-24(29)15-25-22(27)14-19-10-6-9-18-8-3-4-12-21(18)19/h3-13H,2,14-16H2,1H3,(H,25,27)(H,26,28).
What are the key properties of [2-(3-ethylanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate?
[2-(3-ethylanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate has a molecular weight of 404.47 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate is sourced from PubChem (CID 8573254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).