[2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate

C23H29N3O5 — CID 9070919

IUPAC[2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
SMILESCCN(CC)C(=O)CN(C)C(=O)COC(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C23H29N3O5/c1-4-26(5-2)21(28)15-25(3)22(29)16-31-23(30)14-24-20(27)13-18-11-8-10-17-9-6-7-12-19(17)18/h6-12H,4-5,13-16H2,1-3H3,(H,24,27)
InChIKeyXJHZQAVMFYCHRN-UHFFFAOYSA-N
MW427.50 g/mol
LogP1.37
Rot. Bonds10

About [2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate

[2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate (PubChem CID 9070919) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is [2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate.

Molecular Properties

Compound Name[2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
PubChem CID9070919
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC Name[2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
SMILESCCN(CC)C(=O)CN(C)C(=O)COC(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C23H29N3O5/c1-4-26(5-2)21(28)15-25(3)22(29)16-31-23(30)14-24-20(27)13-18-11-8-10-17-9-6-7-12-19(17)18/h6-12H,4-5,13-16H2,1-3H3,(H,24,27)
InChIKeyXJHZQAVMFYCHRN-UHFFFAOYSA-N
XLogP1.37
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate with MolForge

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Related Compounds

[2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 8573927
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8573479
[2-(cyclopropylamino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574122
[2-(3-ethylanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8573254
[2-(azepan-1-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574012
benzyl 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetate
CID 7980388
N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574009
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574218
N-(2-amino-2-oxoethyl)-2-naphthalen-1-ylacetamide
CID 9294847
[2-(1-adamantyl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8573277
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8573655

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate?
The IUPAC name of [2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate (CID 9070919) is [2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate.
What is the SMILES notation for [2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate?
The canonical SMILES for [2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate is CCN(CC)C(=O)CN(C)C(=O)COC(=O)CNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of [2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate?
The InChIKey is XJHZQAVMFYCHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-4-26(5-2)21(28)15-25(3)22(29)16-31-23(30)14-24-20(27)13-18-11-8-10-17-9-6-7-12-19(17)18/h6-12H,4-5,13-16H2,1-3H3,(H,24,27).
What are the key properties of [2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate?
[2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate has a molecular weight of 427.50 g/mol, XLogP of 1.37, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate is sourced from PubChem (CID 9070919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).