methyl 4-[2-[(4-propan-2-ylbenzoyl)amino]acetyl]benzoate

C20H21NO4 — CID 164863189

IUPACmethyl 4-[2-[(4-propan-2-ylbenzoyl)amino]acetyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)CNC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H21NO4/c1-13(2)14-4-8-16(9-5-14)19(23)21-12-18(22)15-6-10-17(11-7-15)20(24)25-3/h4-11,13H,12H2,1-3H3,(H,21,23)
InChIKeyOXTIKJLIYPTAJO-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.21
Rot. Bonds6

About methyl 4-[2-[(4-propan-2-ylbenzoyl)amino]acetyl]benzoate

methyl 4-[2-[(4-propan-2-ylbenzoyl)amino]acetyl]benzoate (PubChem CID 164863189) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is methyl 4-[2-[(4-propan-2-ylbenzoyl)amino]acetyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[(4-propan-2-ylbenzoyl)amino]acetyl]benzoate
PubChem CID164863189
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Namemethyl 4-[2-[(4-propan-2-ylbenzoyl)amino]acetyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)CNC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H21NO4/c1-13(2)14-4-8-16(9-5-14)19(23)21-12-18(22)15-6-10-17(11-7-15)20(24)25-3/h4-11,13H,12H2,1-3H3,(H,21,23)
InChIKeyOXTIKJLIYPTAJO-UHFFFAOYSA-N
XLogP3.21
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate
CID 43404732
2-methyl-N-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]propanamide
CID 94266974
2-[[2-[(4-propan-2-ylbenzoyl)amino]acetyl]amino]acetic acid
CID 43387473
methyl 2-hydroxy-3-[(4-propan-2-ylbenzoyl)amino]propanoate
CID 103879142
methyl 4-[[2-oxo-2-(4-pentoxyphenyl)ethyl]carbamoyl]benzoate
CID 58428313
N-(3,3-dimethyl-2-oxobutyl)-4-propan-2-ylbenzamide
CID 64992078
methyl 4-[2-[(3-iodobenzoyl)amino]acetyl]benzoate
CID 58804838
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-propanoylbenzamide
CID 119526547
methyl 4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]benzoate
CID 177474866
N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide
CID 115365755
N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylbenzamide
CID 103770174
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(4-propan-2-ylbenzoyl)amino]acetyl]benzoate?
The IUPAC name of methyl 4-[2-[(4-propan-2-ylbenzoyl)amino]acetyl]benzoate (CID 164863189) is methyl 4-[2-[(4-propan-2-ylbenzoyl)amino]acetyl]benzoate.
What is the SMILES notation for methyl 4-[2-[(4-propan-2-ylbenzoyl)amino]acetyl]benzoate?
The canonical SMILES for methyl 4-[2-[(4-propan-2-ylbenzoyl)amino]acetyl]benzoate is COC(=O)c1ccc(C(=O)CNC(=O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of methyl 4-[2-[(4-propan-2-ylbenzoyl)amino]acetyl]benzoate?
The InChIKey is OXTIKJLIYPTAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-13(2)14-4-8-16(9-5-14)19(23)21-12-18(22)15-6-10-17(11-7-15)20(24)25-3/h4-11,13H,12H2,1-3H3,(H,21,23).
What are the key properties of methyl 4-[2-[(4-propan-2-ylbenzoyl)amino]acetyl]benzoate?
methyl 4-[2-[(4-propan-2-ylbenzoyl)amino]acetyl]benzoate has a molecular weight of 339.39 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(4-propan-2-ylbenzoyl)amino]acetyl]benzoate is sourced from PubChem (CID 164863189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).