2,3,3-trimethylbutan-2-yl 2-acetamidobenzoate

C16H23NO3 — CID 122596329

IUPAC2,3,3-trimethylbutan-2-yl 2-acetamidobenzoate
SMILESCC(=O)Nc1ccccc1C(=O)OC(C)(C)C(C)(C)C
InChIInChI=1S/C16H23NO3/c1-11(18)17-13-10-8-7-9-12(13)14(19)20-16(5,6)15(2,3)4/h7-10H,1-6H3,(H,17,18)
InChIKeyAXZPMVXWPYSLAL-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.63
Rot. Bonds3

About 2,3,3-trimethylbutan-2-yl 2-acetamidobenzoate

2,3,3-trimethylbutan-2-yl 2-acetamidobenzoate (PubChem CID 122596329) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2,3,3-trimethylbutan-2-yl 2-acetamidobenzoate.

Molecular Properties

Compound Name2,3,3-trimethylbutan-2-yl 2-acetamidobenzoate
PubChem CID122596329
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2,3,3-trimethylbutan-2-yl 2-acetamidobenzoate
SMILESCC(=O)Nc1ccccc1C(=O)OC(C)(C)C(C)(C)C
InChIInChI=1S/C16H23NO3/c1-11(18)17-13-10-8-7-9-12(13)14(19)20-16(5,6)15(2,3)4/h7-10H,1-6H3,(H,17,18)
InChIKeyAXZPMVXWPYSLAL-UHFFFAOYSA-N
XLogP3.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3,3-trimethylbutan-2-yl 2-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

methyl 2-(2,2-dimethylpropanoylamino)benzoate
CID 546733
[2-(2-chlorophenyl)-2-oxoethyl] 2-acetamidobenzoate
CID 2066331
2-acetamidobenzoyl chloride
CID 12520814
CID 170843062
CID 170843062
tert-butyl 2-[[4-chloro-6-[[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 101154818
sodium 2-acetamidobenzoate
CID 23702638
methyl 2-(2-oxopropanoylamino)benzoate
CID 82127719
2-phenylethyl 2-acetamidobenzoate
CID 150228635
methyl 2-(2,2-dichloropropanoylamino)benzoate
CID 10660048
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]acetamide
CID 71323651
tert-butyl 2-[(3-amino-3-hydroxyiminopropanoyl)amino]benzoate
CID 72566185
N-[2-(2-methoxypropan-2-yl)phenyl]acetamide
CID 12541862

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethylbutan-2-yl 2-acetamidobenzoate?
The IUPAC name of 2,3,3-trimethylbutan-2-yl 2-acetamidobenzoate (CID 122596329) is 2,3,3-trimethylbutan-2-yl 2-acetamidobenzoate.
What is the SMILES notation for 2,3,3-trimethylbutan-2-yl 2-acetamidobenzoate?
The canonical SMILES for 2,3,3-trimethylbutan-2-yl 2-acetamidobenzoate is CC(=O)Nc1ccccc1C(=O)OC(C)(C)C(C)(C)C.
What is the InChIKey of 2,3,3-trimethylbutan-2-yl 2-acetamidobenzoate?
The InChIKey is AXZPMVXWPYSLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11(18)17-13-10-8-7-9-12(13)14(19)20-16(5,6)15(2,3)4/h7-10H,1-6H3,(H,17,18).
What are the key properties of 2,3,3-trimethylbutan-2-yl 2-acetamidobenzoate?
2,3,3-trimethylbutan-2-yl 2-acetamidobenzoate has a molecular weight of 277.36 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethylbutan-2-yl 2-acetamidobenzoate is sourced from PubChem (CID 122596329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).