tert-butyl 2-[benzoyl(methyl)amino]acetate

C14H19NO3 — CID 78991310

IUPACtert-butyl 2-[benzoyl(methyl)amino]acetate
SMILESCN(CC(=O)OC(C)(C)C)C(=O)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-14(2,3)18-12(16)10-15(4)13(17)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyFUSDCPRMUZTUFR-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.10
Rot. Bonds3

About tert-butyl 2-[benzoyl(methyl)amino]acetate

tert-butyl 2-[benzoyl(methyl)amino]acetate (PubChem CID 78991310) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is tert-butyl 2-[benzoyl(methyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[benzoyl(methyl)amino]acetate
PubChem CID78991310
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nametert-butyl 2-[benzoyl(methyl)amino]acetate
SMILESCN(CC(=O)OC(C)(C)C)C(=O)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-14(2,3)18-12(16)10-15(4)13(17)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyFUSDCPRMUZTUFR-UHFFFAOYSA-N
XLogP2.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-[benzoyl(methyl)amino]acetate 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

tert-butyl N-[2-[benzoyl(methyl)amino]ethyl]carbamate
CID 167260960
tert-butyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 78991307
tert-butyl 2-[(3-methoxy-4-methylbenzoyl)-methylamino]acetate
CID 52842366
2-[(4-benzoylbenzoyl)-methylamino]acetic acid
CID 175926821
N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665
1-O-[[benzoyl(methyl)amino]methyl] 3-O-tert-butyl 2-(aminomethyl)-2-ethylpropanedioate
CID 174494175
ethyl 2-[methyl-(4-phenylbenzoyl)amino]acetate
CID 54785078
ethyl 2-[[2-[benzoyl(methyl)amino]acetyl]amino]acetate
CID 47257628
tert-butyl 4-oxo-4-phenylbutanoate
CID 11746573
N-[5-[benzoyl(methyl)amino]-2,4-bis(sulfanylidene)pentyl]-N-methylbenzamide
CID 58459694
3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427325
tert-butyl 2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-methylamino]acetate
CID 52842387

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[benzoyl(methyl)amino]acetate?
The IUPAC name of tert-butyl 2-[benzoyl(methyl)amino]acetate (CID 78991310) is tert-butyl 2-[benzoyl(methyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[benzoyl(methyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[benzoyl(methyl)amino]acetate is CN(CC(=O)OC(C)(C)C)C(=O)c1ccccc1.
What is the InChIKey of tert-butyl 2-[benzoyl(methyl)amino]acetate?
The InChIKey is FUSDCPRMUZTUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(2,3)18-12(16)10-15(4)13(17)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3.
What are the key properties of tert-butyl 2-[benzoyl(methyl)amino]acetate?
tert-butyl 2-[benzoyl(methyl)amino]acetate has a molecular weight of 249.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[benzoyl(methyl)amino]acetate is sourced from PubChem (CID 78991310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).