ethyl 2-[(1-acetylindol-3-yl)amino]benzoate

C19H18N2O3 — CID 878641

IUPACethyl 2-[(1-acetylindol-3-yl)amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1cn(C(C)=O)c2ccccc12
InChIInChI=1S/C19H18N2O3/c1-3-24-19(23)15-9-4-6-10-16(15)20-17-12-21(13(2)22)18-11-7-5-8-14(17)18/h4-12,20H,3H2,1-2H3
InChIKeySYRQXXIWUCYMTK-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.22
Rot. Bonds4

About ethyl 2-[(1-acetylindol-3-yl)amino]benzoate

ethyl 2-[(1-acetylindol-3-yl)amino]benzoate (PubChem CID 878641) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 2-[(1-acetylindol-3-yl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(1-acetylindol-3-yl)amino]benzoate
PubChem CID878641
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Nameethyl 2-[(1-acetylindol-3-yl)amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1cn(C(C)=O)c2ccccc12
InChIInChI=1S/C19H18N2O3/c1-3-24-19(23)15-9-4-6-10-16(15)20-17-12-21(13(2)22)18-11-7-5-8-14(17)18/h4-12,20H,3H2,1-2H3
InChIKeySYRQXXIWUCYMTK-UHFFFAOYSA-N
XLogP4.22
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-acetylindol-3-yl)amino]benzoate?
The IUPAC name of ethyl 2-[(1-acetylindol-3-yl)amino]benzoate (CID 878641) is ethyl 2-[(1-acetylindol-3-yl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(1-acetylindol-3-yl)amino]benzoate?
The canonical SMILES for ethyl 2-[(1-acetylindol-3-yl)amino]benzoate is CCOC(=O)c1ccccc1Nc1cn(C(C)=O)c2ccccc12.
What is the InChIKey of ethyl 2-[(1-acetylindol-3-yl)amino]benzoate?
The InChIKey is SYRQXXIWUCYMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-24-19(23)15-9-4-6-10-16(15)20-17-12-21(13(2)22)18-11-7-5-8-14(17)18/h4-12,20H,3H2,1-2H3.
What are the key properties of ethyl 2-[(1-acetylindol-3-yl)amino]benzoate?
ethyl 2-[(1-acetylindol-3-yl)amino]benzoate has a molecular weight of 322.36 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-acetylindol-3-yl)amino]benzoate is sourced from PubChem (CID 878641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).