ethyl 4-[[2-[[2-(3-methylphenyl)acetyl]amino]acetyl]amino]benzoate

C20H22N2O4 — CID 113000793

IUPACethyl 4-[[2-[[2-(3-methylphenyl)acetyl]amino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CNC(=O)Cc2cccc(C)c2)cc1
InChIInChI=1S/C20H22N2O4/c1-3-26-20(25)16-7-9-17(10-8-16)22-19(24)13-21-18(23)12-15-6-4-5-14(2)11-15/h4-11H,3,12-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyMNVVLCZSTZFUMQ-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.47
Rot. Bonds7

About ethyl 4-[[2-[[2-(3-methylphenyl)acetyl]amino]acetyl]amino]benzoate

ethyl 4-[[2-[[2-(3-methylphenyl)acetyl]amino]acetyl]amino]benzoate (PubChem CID 113000793) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is ethyl 4-[[2-[[2-(3-methylphenyl)acetyl]amino]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[[2-(3-methylphenyl)acetyl]amino]acetyl]amino]benzoate
PubChem CID113000793
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Nameethyl 4-[[2-[[2-(3-methylphenyl)acetyl]amino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CNC(=O)Cc2cccc(C)c2)cc1
InChIInChI=1S/C20H22N2O4/c1-3-26-20(25)16-7-9-17(10-8-16)22-19(24)13-21-18(23)12-15-6-4-5-14(2)11-15/h4-11H,3,12-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyMNVVLCZSTZFUMQ-UHFFFAOYSA-N
XLogP2.47
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[[2-[[2-(3-methylphenyl)acetyl]amino]acetyl]amino]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 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 113098824
N-[2-(4-ethylanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112996808
methyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 6466904
ethyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]benzoate
CID 108900678
ethyl 4-[[2-(3-phenylpropanoylamino)acetyl]amino]benzoate
CID 113000783
ethyl 4-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate
CID 113000796
methyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate
CID 26583179
4-[[2-(3-methylphenyl)acetyl]amino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062320
N-(4-carbamothioylphenyl)-2-(3-methylphenyl)acetamide
CID 62387543
ethyl 4-[[2-[4-[(3-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
CID 22782235
ethyl 4-[[3-(4-ethylanilino)-3-oxopropanoyl]amino]benzoate
CID 108954068
ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate
CID 46859843

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[[2-(3-methylphenyl)acetyl]amino]acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[[2-(3-methylphenyl)acetyl]amino]acetyl]amino]benzoate (CID 113000793) is ethyl 4-[[2-[[2-(3-methylphenyl)acetyl]amino]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[[2-(3-methylphenyl)acetyl]amino]acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[[2-(3-methylphenyl)acetyl]amino]acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)CNC(=O)Cc2cccc(C)c2)cc1.
What is the InChIKey of ethyl 4-[[2-[[2-(3-methylphenyl)acetyl]amino]acetyl]amino]benzoate?
The InChIKey is MNVVLCZSTZFUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-26-20(25)16-7-9-17(10-8-16)22-19(24)13-21-18(23)12-15-6-4-5-14(2)11-15/h4-11H,3,12-13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of ethyl 4-[[2-[[2-(3-methylphenyl)acetyl]amino]acetyl]amino]benzoate?
ethyl 4-[[2-[[2-(3-methylphenyl)acetyl]amino]acetyl]amino]benzoate has a molecular weight of 354.41 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[[2-(3-methylphenyl)acetyl]amino]acetyl]amino]benzoate is sourced from PubChem (CID 113000793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).