[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-cyclopentylacetate

C18H26N2O3 — CID 9202943

IUPAC[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-cyclopentylacetate
SMILESCN(C)c1ccc(CNC(=O)COC(=O)CC2CCCC2)cc1
InChIInChI=1S/C18H26N2O3/c1-20(2)16-9-7-15(8-10-16)12-19-17(21)13-23-18(22)11-14-5-3-4-6-14/h7-10,14H,3-6,11-13H2,1-2H3,(H,19,21)
InChIKeyTXDJUOZIIWTAMH-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.49
Rot. Bonds7

About [2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-cyclopentylacetate

[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-cyclopentylacetate (PubChem CID 9202943) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is [2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-cyclopentylacetate.

Molecular Properties

Compound Name[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-cyclopentylacetate
PubChem CID9202943
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-cyclopentylacetate
SMILESCN(C)c1ccc(CNC(=O)COC(=O)CC2CCCC2)cc1
InChIInChI=1S/C18H26N2O3/c1-20(2)16-9-7-15(8-10-16)12-19-17(21)13-23-18(22)11-14-5-3-4-6-14/h7-10,14H,3-6,11-13H2,1-2H3,(H,19,21)
InChIKeyTXDJUOZIIWTAMH-UHFFFAOYSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-cyclopentylacetate?
The IUPAC name of [2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-cyclopentylacetate (CID 9202943) is [2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-cyclopentylacetate.
What is the SMILES notation for [2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-cyclopentylacetate?
The canonical SMILES for [2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-cyclopentylacetate is CN(C)c1ccc(CNC(=O)COC(=O)CC2CCCC2)cc1.
What is the InChIKey of [2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-cyclopentylacetate?
The InChIKey is TXDJUOZIIWTAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-20(2)16-9-7-15(8-10-16)12-19-17(21)13-23-18(22)11-14-5-3-4-6-14/h7-10,14H,3-6,11-13H2,1-2H3,(H,19,21).
What are the key properties of [2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-cyclopentylacetate?
[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-cyclopentylacetate has a molecular weight of 318.42 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-cyclopentylacetate is sourced from PubChem (CID 9202943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).