[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate

C17H18N2O4 — CID 9018443

IUPAC[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate
SMILESCN(C)C(=O)CNC(=O)COC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H18N2O4/c1-19(2)16(21)10-18-15(20)11-23-17(22)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,10-11H2,1-2H3,(H,18,20)
InChIKeyOKNDNZPBFNARNB-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.20
Rot. Bonds5

About [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate

[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate (PubChem CID 9018443) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate
PubChem CID9018443
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate
SMILESCN(C)C(=O)CNC(=O)COC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H18N2O4/c1-19(2)16(21)10-18-15(20)11-23-17(22)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,10-11H2,1-2H3,(H,18,20)
InChIKeyOKNDNZPBFNARNB-UHFFFAOYSA-N
XLogP1.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228996
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate
CID 8631975
[2-(tert-butylamino)-2-oxoethyl] naphthalene-2-carboxylate
CID 2507385
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 8885400
[2-(methylcarbamoylamino)-2-oxoethyl] naphthalene-2-carboxylate
CID 2507436
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619530
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018400
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-2-carboxylate
CID 2480266
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9416612
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
CID 9081447
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018336
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] naphthalene-2-carboxylate
CID 2507620

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate?
The IUPAC name of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate (CID 9018443) is [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate.
What is the SMILES notation for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate?
The canonical SMILES for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate is CN(C)C(=O)CNC(=O)COC(=O)c1ccc2ccccc2c1.
What is the InChIKey of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate?
The InChIKey is OKNDNZPBFNARNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-19(2)16(21)10-18-15(20)11-23-17(22)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,10-11H2,1-2H3,(H,18,20).
What are the key properties of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate?
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate has a molecular weight of 314.34 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate is sourced from PubChem (CID 9018443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).