2-(2,3-dihydro-1H-indol-3-yl)-N-(3-hydroxyphenyl)-N-methylacetamide

C17H18N2O2 — CID 107734732

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-N-(3-hydroxyphenyl)-N-methylacetamide
SMILESCN(C(=O)CC1CNc2ccccc21)c1cccc(O)c1
InChIInChI=1S/C17H18N2O2/c1-19(13-5-4-6-14(20)10-13)17(21)9-12-11-18-16-8-3-2-7-15(12)16/h2-8,10,12,18,20H,9,11H2,1H3
InChIKeyKGORFHZSCRIGCZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.95
Rot. Bonds3

About 2-(2,3-dihydro-1H-indol-3-yl)-N-(3-hydroxyphenyl)-N-methylacetamide

2-(2,3-dihydro-1H-indol-3-yl)-N-(3-hydroxyphenyl)-N-methylacetamide (PubChem CID 107734732) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-yl)-N-(3-hydroxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-N-(3-hydroxyphenyl)-N-methylacetamide
PubChem CID107734732
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-N-(3-hydroxyphenyl)-N-methylacetamide
SMILESCN(C(=O)CC1CNc2ccccc21)c1cccc(O)c1
InChIInChI=1S/C17H18N2O2/c1-19(13-5-4-6-14(20)10-13)17(21)9-12-11-18-16-8-3-2-7-15(12)16/h2-8,10,12,18,20H,9,11H2,1H3
InChIKeyKGORFHZSCRIGCZ-UHFFFAOYSA-N
XLogP2.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-(3-hydroxyphenyl)-N-methylacetamide?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-(3-hydroxyphenyl)-N-methylacetamide (CID 107734732) is 2-(2,3-dihydro-1H-indol-3-yl)-N-(3-hydroxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-N-(3-hydroxyphenyl)-N-methylacetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-N-(3-hydroxyphenyl)-N-methylacetamide is CN(C(=O)CC1CNc2ccccc21)c1cccc(O)c1.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-N-(3-hydroxyphenyl)-N-methylacetamide?
The InChIKey is KGORFHZSCRIGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-19(13-5-4-6-14(20)10-13)17(21)9-12-11-18-16-8-3-2-7-15(12)16/h2-8,10,12,18,20H,9,11H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-N-(3-hydroxyphenyl)-N-methylacetamide?
2-(2,3-dihydro-1H-indol-3-yl)-N-(3-hydroxyphenyl)-N-methylacetamide has a molecular weight of 282.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-3-yl)-N-(3-hydroxyphenyl)-N-methylacetamide is sourced from PubChem (CID 107734732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).