ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate

C13H17NO3 — CID 46544273

IUPACethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C13H17NO3/c1-4-17-12(15)8-14-13(16)11-6-9(2)5-10(3)7-11/h5-7H,4,8H2,1-3H3,(H,14,16)
InChIKeyNETPBZLVOKFJBJ-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.60
Rot. Bonds4

About ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate

ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate (PubChem CID 46544273) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
PubChem CID46544273
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Nameethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C13H17NO3/c1-4-17-12(15)8-14-13(16)11-6-9(2)5-10(3)7-11/h5-7H,4,8H2,1-3H3,(H,14,16)
InChIKeyNETPBZLVOKFJBJ-UHFFFAOYSA-N
XLogP1.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(carbamoylamino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 2116853
ethyl 2-[[3-(3-hydroxyprop-1-ynyl)-5-methylbenzoyl]amino]acetate
CID 115999968
ethyl 2-[(3,4,5-trifluorobenzoyl)amino]acetate
CID 63186625
N-[2-(diethylamino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 51161803
[2-(4-methylanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 55314344
ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478
ethyl 2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]acetate
CID 60895921
ethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate
CID 60810629
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 2386261
ethyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate
CID 3136484
ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593
3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 27256307

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate (CID 46544273) is ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate is CCOC(=O)CNC(=O)c1cc(C)cc(C)c1.
What is the InChIKey of ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate?
The InChIKey is NETPBZLVOKFJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-4-17-12(15)8-14-13(16)11-6-9(2)5-10(3)7-11/h5-7H,4,8H2,1-3H3,(H,14,16).
What are the key properties of ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate?
ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate has a molecular weight of 235.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate is sourced from PubChem (CID 46544273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).