methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate

C13H16N2O4 — CID 2985304

IUPACmethyl 2-[[4-(propanoylamino)benzoyl]amino]acetate
SMILESCCC(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1
InChIInChI=1S/C13H16N2O4/c1-3-11(16)15-10-6-4-9(5-7-10)13(18)14-8-12(17)19-2/h4-7H,3,8H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyISDUSNHHMBFOLG-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.94
Rot. Bonds5

About methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate

methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate (PubChem CID 2985304) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-(propanoylamino)benzoyl]amino]acetate
PubChem CID2985304
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namemethyl 2-[[4-(propanoylamino)benzoyl]amino]acetate
SMILESCCC(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1
InChIInChI=1S/C13H16N2O4/c1-3-11(16)15-10-6-4-9(5-7-10)13(18)14-8-12(17)19-2/h4-7H,3,8H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyISDUSNHHMBFOLG-UHFFFAOYSA-N
XLogP0.94
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate
CID 46637026
methyl 2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetate
CID 46569462
methyl 2-[[4-[(4-iodobenzoyl)amino]benzoyl]amino]acetate
CID 46828278
methyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate
CID 9049144
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854460
methyl 3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoate
CID 28638135
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878733
4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062260
methyl 2-[[4-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]benzoyl]amino]acetate
CID 55396943
methyl 2-[[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoyl]amino]acetate
CID 9049177
methyl 2-[[4-[[2-(4-fluorophenyl)sulfanylacetyl]amino]benzoyl]amino]acetate
CID 46421581
N-(3-hydroxy-2,2-dimethylpropyl)-4-(propanoylamino)benzamide
CID 110178584

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate (CID 2985304) is methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate is CCC(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1.
What is the InChIKey of methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate?
The InChIKey is ISDUSNHHMBFOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-3-11(16)15-10-6-4-9(5-7-10)13(18)14-8-12(17)19-2/h4-7H,3,8H2,1-2H3,(H,14,18)(H,15,16).
What are the key properties of methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate?
methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate has a molecular weight of 264.28 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate is sourced from PubChem (CID 2985304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).