ethyl 4-[2-(2,4-dimethylphenoxy)propanoylamino]-3-methylbenzoate

C21H25NO4 — CID 132653607

IUPACethyl 4-[2-(2,4-dimethylphenoxy)propanoylamino]-3-methylbenzoate
SMILESCCOC(=O)c1ccc(NC(=O)C(C)Oc2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C21H25NO4/c1-6-25-21(24)17-8-9-18(14(3)12-17)22-20(23)16(5)26-19-10-7-13(2)11-15(19)4/h7-12,16H,6H2,1-5H3,(H,22,23)
InChIKeyDSRFELLFRBURDP-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.19
Rot. Bonds6

About ethyl 4-[2-(2,4-dimethylphenoxy)propanoylamino]-3-methylbenzoate

ethyl 4-[2-(2,4-dimethylphenoxy)propanoylamino]-3-methylbenzoate (PubChem CID 132653607) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is ethyl 4-[2-(2,4-dimethylphenoxy)propanoylamino]-3-methylbenzoate.

Molecular Properties

Compound Nameethyl 4-[2-(2,4-dimethylphenoxy)propanoylamino]-3-methylbenzoate
PubChem CID132653607
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Nameethyl 4-[2-(2,4-dimethylphenoxy)propanoylamino]-3-methylbenzoate
SMILESCCOC(=O)c1ccc(NC(=O)C(C)Oc2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C21H25NO4/c1-6-25-21(24)17-8-9-18(14(3)12-17)22-20(23)16(5)26-19-10-7-13(2)11-15(19)4/h7-12,16H,6H2,1-5H3,(H,22,23)
InChIKeyDSRFELLFRBURDP-UHFFFAOYSA-N
XLogP4.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[2-(2,4-dimethylphenoxy)propanoylamino]-3-methylbenzoate 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-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 2788084
ethyl 4-[[(2S)-2-(2,5-dimethylphenoxy)butanoyl]amino]-3-methylbenzoate
CID 28569462
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 99133066
ethyl 3-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-4-methylbenzoate
CID 92646434
N-(2-aminophenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 16781926
ethyl 3-[[(2R)-2-(2,5-dimethylphenoxy)propanoyl]amino]benzoate
CID 95078439
ethyl 4-[1-(2,4-dimethylphenyl)ethylcarbamothioylamino]-3-methylbenzoate
CID 133215392
ethyl 3-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]-4-methylbenzoate
CID 30397857
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
(2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837680
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837681
ethyl 3-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoate
CID 2788090

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2,4-dimethylphenoxy)propanoylamino]-3-methylbenzoate?
The IUPAC name of ethyl 4-[2-(2,4-dimethylphenoxy)propanoylamino]-3-methylbenzoate (CID 132653607) is ethyl 4-[2-(2,4-dimethylphenoxy)propanoylamino]-3-methylbenzoate.
What is the SMILES notation for ethyl 4-[2-(2,4-dimethylphenoxy)propanoylamino]-3-methylbenzoate?
The canonical SMILES for ethyl 4-[2-(2,4-dimethylphenoxy)propanoylamino]-3-methylbenzoate is CCOC(=O)c1ccc(NC(=O)C(C)Oc2ccc(C)cc2C)c(C)c1.
What is the InChIKey of ethyl 4-[2-(2,4-dimethylphenoxy)propanoylamino]-3-methylbenzoate?
The InChIKey is DSRFELLFRBURDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-6-25-21(24)17-8-9-18(14(3)12-17)22-20(23)16(5)26-19-10-7-13(2)11-15(19)4/h7-12,16H,6H2,1-5H3,(H,22,23).
What are the key properties of ethyl 4-[2-(2,4-dimethylphenoxy)propanoylamino]-3-methylbenzoate?
ethyl 4-[2-(2,4-dimethylphenoxy)propanoylamino]-3-methylbenzoate has a molecular weight of 355.43 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2,4-dimethylphenoxy)propanoylamino]-3-methylbenzoate is sourced from PubChem (CID 132653607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).