[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-acetamidobenzoate

C19H28N2O4 — CID 9491580

IUPAC[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)OCC(=O)NC(C)(C)CC(C)(C)C)c1
InChIInChI=1S/C19H28N2O4/c1-13(22)20-15-9-7-8-14(10-15)17(24)25-11-16(23)21-19(5,6)12-18(2,3)4/h7-10H,11-12H2,1-6H3,(H,20,22)(H,21,23)
InChIKeyVEDZJJQGBQFONX-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.13
Rot. Bonds6

About [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-acetamidobenzoate

[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-acetamidobenzoate (PubChem CID 9491580) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-acetamidobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-acetamidobenzoate
PubChem CID9491580
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)OCC(=O)NC(C)(C)CC(C)(C)C)c1
InChIInChI=1S/C19H28N2O4/c1-13(22)20-15-9-7-8-14(10-15)17(24)25-11-16(23)21-19(5,6)12-18(2,3)4/h7-10H,11-12H2,1-6H3,(H,20,22)(H,21,23)
InChIKeyVEDZJJQGBQFONX-UHFFFAOYSA-N
XLogP3.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-acetamidobenzoate with MolForge

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

Launch Full Analysis

Related Compounds

[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-chlorobenzoate
CID 9014463
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-acetamidobenzoate
CID 2651285
[2-(4-acetamidoanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 27803985
[2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582351
[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3,5-dimethylbenzoate
CID 9229215
[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-amino-4-methylbenzoate
CID 9289571
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582184
[2-(cycloheptylamino)-2-oxoethyl] 3-acetamidobenzoate
CID 4829050
ethyl 3-acetamidobenzoate
CID 700589
[2-(4-methoxyanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582238

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-acetamidobenzoate?
The IUPAC name of [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-acetamidobenzoate (CID 9491580) is [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-acetamidobenzoate.
What is the SMILES notation for [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-acetamidobenzoate?
The canonical SMILES for [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-acetamidobenzoate is CC(=O)Nc1cccc(C(=O)OCC(=O)NC(C)(C)CC(C)(C)C)c1.
What is the InChIKey of [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-acetamidobenzoate?
The InChIKey is VEDZJJQGBQFONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-13(22)20-15-9-7-8-14(10-15)17(24)25-11-16(23)21-19(5,6)12-18(2,3)4/h7-10H,11-12H2,1-6H3,(H,20,22)(H,21,23).
What are the key properties of [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-acetamidobenzoate?
[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-acetamidobenzoate has a molecular weight of 348.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-acetamidobenzoate is sourced from PubChem (CID 9491580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).