methyl 2-[[2-[acetyl(tert-butyl)amino]acetyl]amino]benzoate

C16H22N2O4 — CID 113166201

IUPACmethyl 2-[[2-[acetyl(tert-butyl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN(C(C)=O)C(C)(C)C
InChIInChI=1S/C16H22N2O4/c1-11(19)18(16(2,3)4)10-14(20)17-13-9-7-6-8-12(13)15(21)22-5/h6-9H,10H2,1-5H3,(H,17,20)
InChIKeyJZEDEBFMDOAELU-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.06
Rot. Bonds4

About methyl 2-[[2-[acetyl(tert-butyl)amino]acetyl]amino]benzoate

methyl 2-[[2-[acetyl(tert-butyl)amino]acetyl]amino]benzoate (PubChem CID 113166201) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is methyl 2-[[2-[acetyl(tert-butyl)amino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[acetyl(tert-butyl)amino]acetyl]amino]benzoate
PubChem CID113166201
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namemethyl 2-[[2-[acetyl(tert-butyl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN(C(C)=O)C(C)(C)C
InChIInChI=1S/C16H22N2O4/c1-11(19)18(16(2,3)4)10-14(20)17-13-9-7-6-8-12(13)15(21)22-5/h6-9H,10H2,1-5H3,(H,17,20)
InChIKeyJZEDEBFMDOAELU-UHFFFAOYSA-N
XLogP2.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-[acetyl(tert-butyl)amino]acetyl]amino]benzoate 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-[acetyl(tert-butyl)amino]-N-(2-methylphenyl)acetamide
CID 113166145
methyl 2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzoate
CID 8766688
methyl 2-[[2-[acetyl(butyl)amino]acetyl]amino]benzoate
CID 113158758
methyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate
CID 40706173
methyl 2-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]benzoate
CID 94499210
methyl 2-[[2-(N-acetyl-2-ethoxycarbonylanilino)acetyl]amino]benzoate
CID 113180607
methyl 2-(2,2-dimethylpropanoylamino)benzoate
CID 546733
methyl 2-[acetyl-[2-(2-fluoroanilino)-2-oxoethyl]amino]benzoate
CID 113176130
methyl 2-(2-oxopropanoylamino)benzoate
CID 82127719
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102
methyl 2-[[3-(cyclohexylamino)-3-oxopropanoyl]amino]benzoate
CID 108942633
methyl 2-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9040291

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[acetyl(tert-butyl)amino]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[acetyl(tert-butyl)amino]acetyl]amino]benzoate (CID 113166201) is methyl 2-[[2-[acetyl(tert-butyl)amino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[acetyl(tert-butyl)amino]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[acetyl(tert-butyl)amino]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CN(C(C)=O)C(C)(C)C.
What is the InChIKey of methyl 2-[[2-[acetyl(tert-butyl)amino]acetyl]amino]benzoate?
The InChIKey is JZEDEBFMDOAELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11(19)18(16(2,3)4)10-14(20)17-13-9-7-6-8-12(13)15(21)22-5/h6-9H,10H2,1-5H3,(H,17,20).
What are the key properties of methyl 2-[[2-[acetyl(tert-butyl)amino]acetyl]amino]benzoate?
methyl 2-[[2-[acetyl(tert-butyl)amino]acetyl]amino]benzoate has a molecular weight of 306.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[acetyl(tert-butyl)amino]acetyl]amino]benzoate is sourced from PubChem (CID 113166201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).