ethyl 3-[2-(4-methylphenoxy)butanoylamino]benzoate

C20H23NO4 — CID 132652172

IUPACethyl 3-[2-(4-methylphenoxy)butanoylamino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C(CC)Oc2ccc(C)cc2)c1
InChIInChI=1S/C20H23NO4/c1-4-18(25-17-11-9-14(3)10-12-17)19(22)21-16-8-6-7-15(13-16)20(23)24-5-2/h6-13,18H,4-5H2,1-3H3,(H,21,22)
InChIKeyYAHJLCRHSNJFRA-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.97
Rot. Bonds7

About ethyl 3-[2-(4-methylphenoxy)butanoylamino]benzoate

ethyl 3-[2-(4-methylphenoxy)butanoylamino]benzoate (PubChem CID 132652172) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 3-[2-(4-methylphenoxy)butanoylamino]benzoate.

Molecular Properties

Compound Nameethyl 3-[2-(4-methylphenoxy)butanoylamino]benzoate
PubChem CID132652172
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Nameethyl 3-[2-(4-methylphenoxy)butanoylamino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C(CC)Oc2ccc(C)cc2)c1
InChIInChI=1S/C20H23NO4/c1-4-18(25-17-11-9-14(3)10-12-17)19(22)21-16-8-6-7-15(13-16)20(23)24-5-2/h6-13,18H,4-5H2,1-3H3,(H,21,22)
InChIKeyYAHJLCRHSNJFRA-UHFFFAOYSA-N
XLogP3.97
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[2-(4-methylphenoxy)butanoylamino]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

ethyl 3-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]benzoate
CID 94019557
N-(3-acetylphenyl)-2-(4-methylphenoxy)butanamide
CID 4949978
(2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide
CID 41228638
3-[2-(4-methylphenoxy)butanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 43878204
methyl 3-[[(2S)-2-(3,4-dimethylphenoxy)butanoyl]amino]benzoate
CID 94026950
2-(4-methylphenoxy)-N-[3-(piperidine-1-carbonyl)phenyl]butanamide
CID 43878334
3-[2-(3,4-dimethylphenoxy)butanoylamino]benzamide
CID 53284317
N-benzyl-N-methyl-3-[2-(4-methylphenoxy)butanoylamino]benzamide
CID 43877329
(2S)-2-(4-methylphenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]butanamide
CID 42579577
methyl 3-[2-(4-chloro-3-methylphenoxy)butanoylamino]benzoate
CID 53289013
ethyl 3-(2-methylpropanoylamino)benzoate
CID 836905
2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide
CID 53284409

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(4-methylphenoxy)butanoylamino]benzoate?
The IUPAC name of ethyl 3-[2-(4-methylphenoxy)butanoylamino]benzoate (CID 132652172) is ethyl 3-[2-(4-methylphenoxy)butanoylamino]benzoate.
What is the SMILES notation for ethyl 3-[2-(4-methylphenoxy)butanoylamino]benzoate?
The canonical SMILES for ethyl 3-[2-(4-methylphenoxy)butanoylamino]benzoate is CCOC(=O)c1cccc(NC(=O)C(CC)Oc2ccc(C)cc2)c1.
What is the InChIKey of ethyl 3-[2-(4-methylphenoxy)butanoylamino]benzoate?
The InChIKey is YAHJLCRHSNJFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-18(25-17-11-9-14(3)10-12-17)19(22)21-16-8-6-7-15(13-16)20(23)24-5-2/h6-13,18H,4-5H2,1-3H3,(H,21,22).
What are the key properties of ethyl 3-[2-(4-methylphenoxy)butanoylamino]benzoate?
ethyl 3-[2-(4-methylphenoxy)butanoylamino]benzoate has a molecular weight of 341.41 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(4-methylphenoxy)butanoylamino]benzoate is sourced from PubChem (CID 132652172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).