[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] naphthalene-2-carboxylate

C19H20N2O4 — CID 9416612

IUPAC[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] naphthalene-2-carboxylate
SMILESCN(CC(=O)NC1CC1)C(=O)COC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H20N2O4/c1-21(11-17(22)20-16-8-9-16)18(23)12-25-19(24)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,16H,8-9,11-12H2,1H3,(H,20,22)
InChIKeyLQXSILHCRBUPFP-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.73
Rot. Bonds6

About [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] naphthalene-2-carboxylate

[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] naphthalene-2-carboxylate (PubChem CID 9416612) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] naphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] naphthalene-2-carboxylate
PubChem CID9416612
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] naphthalene-2-carboxylate
SMILESCN(CC(=O)NC1CC1)C(=O)COC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H20N2O4/c1-21(11-17(22)20-16-8-9-16)18(23)12-25-19(24)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,16H,8-9,11-12H2,1H3,(H,20,22)
InChIKeyLQXSILHCRBUPFP-UHFFFAOYSA-N
XLogP1.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018400
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 9417725
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate
CID 8666511
2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 43572560
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018443
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018372
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 60665697
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-chloro-2-nitrobenzoate
CID 9416010
2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 18093332
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 8600738
[2-(tert-butylamino)-2-oxoethyl] naphthalene-2-carboxylate
CID 2507385
[2-(N-ethylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 2507754

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] naphthalene-2-carboxylate?
The IUPAC name of [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] naphthalene-2-carboxylate (CID 9416612) is [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] naphthalene-2-carboxylate.
What is the SMILES notation for [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] naphthalene-2-carboxylate?
The canonical SMILES for [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] naphthalene-2-carboxylate is CN(CC(=O)NC1CC1)C(=O)COC(=O)c1ccc2ccccc2c1.
What is the InChIKey of [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] naphthalene-2-carboxylate?
The InChIKey is LQXSILHCRBUPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-21(11-17(22)20-16-8-9-16)18(23)12-25-19(24)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,16H,8-9,11-12H2,1H3,(H,20,22).
What are the key properties of [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] naphthalene-2-carboxylate?
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] naphthalene-2-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] naphthalene-2-carboxylate is sourced from PubChem (CID 9416612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).