[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2,3-dimethylbenzoate

C16H23NO3 — CID 9079838

IUPAC[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2,3-dimethylbenzoate
SMILESCCC(C)(C)NC(=O)COC(=O)c1cccc(C)c1C
InChIInChI=1S/C16H23NO3/c1-6-16(4,5)17-14(18)10-20-15(19)13-9-7-8-11(2)12(13)3/h7-9H,6,10H2,1-5H3,(H,17,18)
InChIKeyNVYKTXJXNYQGEV-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.77
Rot. Bonds5

About [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2,3-dimethylbenzoate

[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2,3-dimethylbenzoate (PubChem CID 9079838) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2,3-dimethylbenzoate.

Molecular Properties

Compound Name[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2,3-dimethylbenzoate
PubChem CID9079838
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2,3-dimethylbenzoate
SMILESCCC(C)(C)NC(=O)COC(=O)c1cccc(C)c1C
InChIInChI=1S/C16H23NO3/c1-6-16(4,5)17-14(18)10-20-15(19)13-9-7-8-11(2)12(13)3/h7-9H,6,10H2,1-5H3,(H,17,18)
InChIKeyNVYKTXJXNYQGEV-UHFFFAOYSA-N
XLogP2.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2,3-dimethylbenzoate 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-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 8581903
[2-(ethoxycarbonylamino)-2-oxoethyl] 2,3-dimethylbenzoate
CID 2572130
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-methylsulfanylbenzoate
CID 8841416
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 8581768
aminomethyl 2,3-dimethylbenzoate
CID 66871801
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 5-amino-2-fluoro-3-methylbenzoate
CID 103297988
[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 2,3-dimethylbenzoate
CID 9079683
[2-(4-butylanilino)-2-oxoethyl] 2,3-dimethylbenzoate
CID 2390832
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2,3-dimethylbenzoate
CID 7765240
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 9290384
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dimethylbenzoate
CID 2545119
[2-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2,3-dimethylbenzoate
CID 9079590

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2,3-dimethylbenzoate?
The IUPAC name of [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2,3-dimethylbenzoate (CID 9079838) is [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2,3-dimethylbenzoate.
What is the SMILES notation for [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2,3-dimethylbenzoate?
The canonical SMILES for [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2,3-dimethylbenzoate is CCC(C)(C)NC(=O)COC(=O)c1cccc(C)c1C.
What is the InChIKey of [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2,3-dimethylbenzoate?
The InChIKey is NVYKTXJXNYQGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-6-16(4,5)17-14(18)10-20-15(19)13-9-7-8-11(2)12(13)3/h7-9H,6,10H2,1-5H3,(H,17,18).
What are the key properties of [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2,3-dimethylbenzoate?
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2,3-dimethylbenzoate has a molecular weight of 277.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2,3-dimethylbenzoate is sourced from PubChem (CID 9079838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).