propyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate

C20H20N2O3 — CID 2449729

IUPACpropyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H20N2O3/c1-2-11-25-20(24)14-7-9-16(10-8-14)22-19(23)12-15-13-21-18-6-4-3-5-17(15)18/h3-10,13,21H,2,11-12H2,1H3,(H,22,23)
InChIKeyZPNOEZZUBOZVRS-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.92
Rot. Bonds6

About propyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate

propyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate (PubChem CID 2449729) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is propyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate
PubChem CID2449729
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Namepropyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H20N2O3/c1-2-11-25-20(24)14-7-9-16(10-8-14)22-19(23)12-15-13-21-18-6-4-3-5-17(15)18/h3-10,13,21H,2,11-12H2,1H3,(H,22,23)
InChIKeyZPNOEZZUBOZVRS-UHFFFAOYSA-N
XLogP3.92
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)ethyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate
CID 8833412
N-(4-ethoxyphenyl)-4-[[2-(1H-indol-3-yl)acetyl]amino]benzamide
CID 7998970
[2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7665948
N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
CID 2093840
ethyl 4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzoate
CID 3294700
N-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 110604202
N-[2-(4-acetylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112999594
(2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate
CID 2389061
N-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide
CID 170716792
2-(1H-indol-3-yl)-N-[4-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 112982718
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(1H-indol-3-yl)acetate
CID 4802171
2-(1H-indol-3-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9140853

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate?
The IUPAC name of propyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate (CID 2449729) is propyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate?
The canonical SMILES for propyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of propyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate?
The InChIKey is ZPNOEZZUBOZVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-2-11-25-20(24)14-7-9-16(10-8-14)22-19(23)12-15-13-21-18-6-4-3-5-17(15)18/h3-10,13,21H,2,11-12H2,1H3,(H,22,23).
What are the key properties of propyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate?
propyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate has a molecular weight of 336.39 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate is sourced from PubChem (CID 2449729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).