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

C23H27N3O3 — CID 8833412

IUPAC2-(diethylamino)ethyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate
SMILESCCN(CC)CCOC(=O)c1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H27N3O3/c1-3-26(4-2)13-14-29-23(28)17-9-11-19(12-10-17)25-22(27)15-18-16-24-21-8-6-5-7-20(18)21/h5-12,16,24H,3-4,13-15H2,1-2H3,(H,25,27)
InChIKeyUAILVHCPBWMBJV-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.85
Rot. Bonds9

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

2-(diethylamino)ethyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate (PubChem CID 8833412) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate
PubChem CID8833412
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-(diethylamino)ethyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate
SMILESCCN(CC)CCOC(=O)c1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H27N3O3/c1-3-26(4-2)13-14-29-23(28)17-9-11-19(12-10-17)25-22(27)15-18-16-24-21-8-6-5-7-20(18)21/h5-12,16,24H,3-4,13-15H2,1-2H3,(H,25,27)
InChIKeyUAILVHCPBWMBJV-UHFFFAOYSA-N
XLogP3.85
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate
CID 2449729
2-(diethylamino)ethyl 4-[[3-[4-[2-(diethylamino)ethoxycarbonyl]anilino]-3-oxopropanoyl]amino]benzoate
CID 26846
N-(4-ethoxyphenyl)-4-[[2-(1H-indol-3-yl)acetyl]amino]benzamide
CID 7998970
N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
CID 2093840
2-(diethylamino)ethyl 4-[[2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetyl]amino]benzoate
CID 135833561
2-(diethylamino)ethyl 4-[[2-(2-methylphenoxy)acetyl]amino]benzoate
CID 8961510
ethyl 4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzoate
CID 3294700
6-[4-[2-(diethylamino)ethoxycarbonyl]anilino]-6-oxohexanoic acid
CID 178072250
N-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 110604202
[2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7665948
N-[2-(4-acetylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112999594
2-(diethylamino)ethyl 4-[3-(2-chlorophenoxy)propanoylamino]benzoate
CID 108789465

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate?
The IUPAC name of 2-(diethylamino)ethyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate (CID 8833412) is 2-(diethylamino)ethyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate.
What is the SMILES notation for 2-(diethylamino)ethyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate?
The canonical SMILES for 2-(diethylamino)ethyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate is CCN(CC)CCOC(=O)c1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 2-(diethylamino)ethyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate?
The InChIKey is UAILVHCPBWMBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-3-26(4-2)13-14-29-23(28)17-9-11-19(12-10-17)25-22(27)15-18-16-24-21-8-6-5-7-20(18)21/h5-12,16,24H,3-4,13-15H2,1-2H3,(H,25,27).
What are the key properties of 2-(diethylamino)ethyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate?
2-(diethylamino)ethyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate has a molecular weight of 393.49 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate is sourced from PubChem (CID 8833412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).