[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

C19H26N2O4 — CID 2547322

IUPAC[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESCc1cccc(C)c1NC(=O)COC(=O)CNC(=O)C1CCCCC1
InChIInChI=1S/C19H26N2O4/c1-13-7-6-8-14(2)18(13)21-16(22)12-25-17(23)11-20-19(24)15-9-4-3-5-10-15/h6-8,15H,3-5,9-12H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyDXAIBPKVLYVKQE-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.48
Rot. Bonds6

About [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (PubChem CID 2547322) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.

Molecular Properties

Compound Name[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
PubChem CID2547322
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESCc1cccc(C)c1NC(=O)COC(=O)CNC(=O)C1CCCCC1
InChIInChI=1S/C19H26N2O4/c1-13-7-6-8-14(2)18(13)21-16(22)12-25-17(23)11-20-19(24)15-9-4-3-5-10-15/h6-8,15H,3-5,9-12H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyDXAIBPKVLYVKQE-UHFFFAOYSA-N
XLogP2.48
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (CID 2547322) is [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.
What is the SMILES notation for [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The canonical SMILES for [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is Cc1cccc(C)c1NC(=O)COC(=O)CNC(=O)C1CCCCC1.
What is the InChIKey of [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The InChIKey is DXAIBPKVLYVKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13-7-6-8-14(2)18(13)21-16(22)12-25-17(23)11-20-19(24)15-9-4-3-5-10-15/h6-8,15H,3-5,9-12H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate has a molecular weight of 346.43 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is sourced from PubChem (CID 2547322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).