N-[3-(2-aminoethyl)-5-naphthalen-1-ylindol-1-yl]-N-benzylacetamide

C29H27N3O — CID 70054163

IUPACN-[3-(2-aminoethyl)-5-naphthalen-1-ylindol-1-yl]-N-benzylacetamide
SMILESCC(=O)N(Cc1ccccc1)n1cc(CCN)c2cc(-c3cccc4ccccc34)ccc21
InChIInChI=1S/C29H27N3O/c1-21(33)31(19-22-8-3-2-4-9-22)32-20-25(16-17-30)28-18-24(14-15-29(28)32)27-13-7-11-23-10-5-6-12-26(23)27/h2-15,18,20H,16-17,19,30H2,1H3
InChIKeyJTCDWLLHISDZPA-UHFFFAOYSA-N
MW433.56 g/mol
LogP5.65
Rot. Bonds6

About N-[3-(2-aminoethyl)-5-naphthalen-1-ylindol-1-yl]-N-benzylacetamide

N-[3-(2-aminoethyl)-5-naphthalen-1-ylindol-1-yl]-N-benzylacetamide (PubChem CID 70054163) has the molecular formula C29H27N3O and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[3-(2-aminoethyl)-5-naphthalen-1-ylindol-1-yl]-N-benzylacetamide.

Molecular Properties

Compound NameN-[3-(2-aminoethyl)-5-naphthalen-1-ylindol-1-yl]-N-benzylacetamide
PubChem CID70054163
Molecular FormulaC29H27N3O
Molecular Weight433.56 g/mol
Exact Mass433.22
IUPAC NameN-[3-(2-aminoethyl)-5-naphthalen-1-ylindol-1-yl]-N-benzylacetamide
SMILESCC(=O)N(Cc1ccccc1)n1cc(CCN)c2cc(-c3cccc4ccccc34)ccc21
InChIInChI=1S/C29H27N3O/c1-21(33)31(19-22-8-3-2-4-9-22)32-20-25(16-17-30)28-18-24(14-15-29(28)32)27-13-7-11-23-10-5-6-12-26(23)27/h2-15,18,20H,16-17,19,30H2,1H3
InChIKeyJTCDWLLHISDZPA-UHFFFAOYSA-N
XLogP5.65
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.56
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethyl)-5-naphthalen-1-ylindol-1-yl]-N-benzylacetamide?
The IUPAC name of N-[3-(2-aminoethyl)-5-naphthalen-1-ylindol-1-yl]-N-benzylacetamide (CID 70054163) is N-[3-(2-aminoethyl)-5-naphthalen-1-ylindol-1-yl]-N-benzylacetamide.
What is the SMILES notation for N-[3-(2-aminoethyl)-5-naphthalen-1-ylindol-1-yl]-N-benzylacetamide?
The canonical SMILES for N-[3-(2-aminoethyl)-5-naphthalen-1-ylindol-1-yl]-N-benzylacetamide is CC(=O)N(Cc1ccccc1)n1cc(CCN)c2cc(-c3cccc4ccccc34)ccc21.
What is the InChIKey of N-[3-(2-aminoethyl)-5-naphthalen-1-ylindol-1-yl]-N-benzylacetamide?
The InChIKey is JTCDWLLHISDZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O/c1-21(33)31(19-22-8-3-2-4-9-22)32-20-25(16-17-30)28-18-24(14-15-29(28)32)27-13-7-11-23-10-5-6-12-26(23)27/h2-15,18,20H,16-17,19,30H2,1H3.
What are the key properties of N-[3-(2-aminoethyl)-5-naphthalen-1-ylindol-1-yl]-N-benzylacetamide?
N-[3-(2-aminoethyl)-5-naphthalen-1-ylindol-1-yl]-N-benzylacetamide has a molecular weight of 433.56 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethyl)-5-naphthalen-1-ylindol-1-yl]-N-benzylacetamide is sourced from PubChem (CID 70054163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).