N-[(1,2-dimethylindol-5-yl)methyl]-2-naphthalen-2-yloxyacetamide

C23H22N2O2 — CID 4576123

IUPACN-[(1,2-dimethylindol-5-yl)methyl]-2-naphthalen-2-yloxyacetamide
SMILESCc1cc2cc(CNC(=O)COc3ccc4ccccc4c3)ccc2n1C
InChIInChI=1S/C23H22N2O2/c1-16-11-20-12-17(7-10-22(20)25(16)2)14-24-23(26)15-27-21-9-8-18-5-3-4-6-19(18)13-21/h3-13H,14-15H2,1-2H3,(H,24,26)
InChIKeyXMVQSXKSCOSGPA-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.34
Rot. Bonds5

About N-[(1,2-dimethylindol-5-yl)methyl]-2-naphthalen-2-yloxyacetamide

N-[(1,2-dimethylindol-5-yl)methyl]-2-naphthalen-2-yloxyacetamide (PubChem CID 4576123) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(1,2-dimethylindol-5-yl)methyl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(1,2-dimethylindol-5-yl)methyl]-2-naphthalen-2-yloxyacetamide
PubChem CID4576123
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-[(1,2-dimethylindol-5-yl)methyl]-2-naphthalen-2-yloxyacetamide
SMILESCc1cc2cc(CNC(=O)COc3ccc4ccccc4c3)ccc2n1C
InChIInChI=1S/C23H22N2O2/c1-16-11-20-12-17(7-10-22(20)25(16)2)14-24-23(26)15-27-21-9-8-18-5-3-4-6-19(18)13-21/h3-13H,14-15H2,1-2H3,(H,24,26)
InChIKeyXMVQSXKSCOSGPA-UHFFFAOYSA-N
XLogP4.34
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]-2-naphthalen-2-yloxyacetamide (CID 4576123) is N-[(1,2-dimethylindol-5-yl)methyl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[(1,2-dimethylindol-5-yl)methyl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[(1,2-dimethylindol-5-yl)methyl]-2-naphthalen-2-yloxyacetamide is Cc1cc2cc(CNC(=O)COc3ccc4ccccc4c3)ccc2n1C.
What is the InChIKey of N-[(1,2-dimethylindol-5-yl)methyl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is XMVQSXKSCOSGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-16-11-20-12-17(7-10-22(20)25(16)2)14-24-23(26)15-27-21-9-8-18-5-3-4-6-19(18)13-21/h3-13H,14-15H2,1-2H3,(H,24,26).
What are the key properties of N-[(1,2-dimethylindol-5-yl)methyl]-2-naphthalen-2-yloxyacetamide?
N-[(1,2-dimethylindol-5-yl)methyl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 358.44 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethylindol-5-yl)methyl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 4576123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).