methyl 4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoate

C19H20N2O3 — CID 110452261

IUPACmethyl 4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNc2ccc3c(c2)CCN3C(C)=O)cc1
InChIInChI=1S/C19H20N2O3/c1-13(22)21-10-9-16-11-17(7-8-18(16)21)20-12-14-3-5-15(6-4-14)19(23)24-2/h3-8,11,20H,9-10,12H2,1-2H3
InChIKeyWLEIDKWSEAEMNP-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.99
Rot. Bonds4

About methyl 4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoate

methyl 4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoate (PubChem CID 110452261) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is methyl 4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoate
PubChem CID110452261
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namemethyl 4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNc2ccc3c(c2)CCN3C(C)=O)cc1
InChIInChI=1S/C19H20N2O3/c1-13(22)21-10-9-16-11-17(7-8-18(16)21)20-12-14-3-5-15(6-4-14)19(23)24-2/h3-8,11,20H,9-10,12H2,1-2H3
InChIKeyWLEIDKWSEAEMNP-UHFFFAOYSA-N
XLogP2.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoate with MolForge

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Related Compounds

4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoic acid
CID 110452215
1-[5-[(3-fluorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 43230566
1-[6-[(4-chlorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 67223454
1-[5-(2,2-diethoxyethylamino)-2,3-dihydroindol-1-yl]ethanone
CID 54285326
1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684598
1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone
CID 168593573
1-[5-[2-(4-chlorophenyl)ethylamino]-2,3-dihydroindol-1-yl]ethanone
CID 110452236
1-[5-[(1-ethenylpyrazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 106935907
1-[5-[(3-methyloxetan-3-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 107234999
N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-methoxyacetamide
CID 53093533
1-[5-[[4-(4-chloro-2-nitrophenoxy)phenyl]methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 112839439
1-[6-[(4-imidazol-1-ylphenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 75385310

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoate?
The IUPAC name of methyl 4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoate (CID 110452261) is methyl 4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoate is COC(=O)c1ccc(CNc2ccc3c(c2)CCN3C(C)=O)cc1.
What is the InChIKey of methyl 4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoate?
The InChIKey is WLEIDKWSEAEMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13(22)21-10-9-16-11-17(7-8-18(16)21)20-12-14-3-5-15(6-4-14)19(23)24-2/h3-8,11,20H,9-10,12H2,1-2H3.
What are the key properties of methyl 4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoate?
methyl 4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoate has a molecular weight of 324.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoate is sourced from PubChem (CID 110452261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).