N-(2,3-dihydro-1H-inden-2-yl)-5-methoxy-N,1-dimethylindole-2-carboxamide

C21H22N2O2 — CID 70756083

IUPACN-(2,3-dihydro-1H-inden-2-yl)-5-methoxy-N,1-dimethylindole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)N(C)C1Cc3ccccc3C1)n2C
InChIInChI=1S/C21H22N2O2/c1-22(17-10-14-6-4-5-7-15(14)11-17)21(24)20-13-16-12-18(25-3)8-9-19(16)23(20)2/h4-9,12-13,17H,10-11H2,1-3H3
InChIKeySLFLMKKKPZCHOM-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.43
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-2-yl)-5-methoxy-N,1-dimethylindole-2-carboxamide

N-(2,3-dihydro-1H-inden-2-yl)-5-methoxy-N,1-dimethylindole-2-carboxamide (PubChem CID 70756083) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-5-methoxy-N,1-dimethylindole-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-5-methoxy-N,1-dimethylindole-2-carboxamide
PubChem CID70756083
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-5-methoxy-N,1-dimethylindole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)N(C)C1Cc3ccccc3C1)n2C
InChIInChI=1S/C21H22N2O2/c1-22(17-10-14-6-4-5-7-15(14)11-17)21(24)20-13-16-12-18(25-3)8-9-19(16)23(20)2/h4-9,12-13,17H,10-11H2,1-3H3
InChIKeySLFLMKKKPZCHOM-UHFFFAOYSA-N
XLogP3.43
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-5-methoxy-N,1-dimethylindole-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-5-methoxy-N,1-dimethylindole-2-carboxamide (CID 70756083) is N-(2,3-dihydro-1H-inden-2-yl)-5-methoxy-N,1-dimethylindole-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-5-methoxy-N,1-dimethylindole-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-5-methoxy-N,1-dimethylindole-2-carboxamide is COc1ccc2c(c1)cc(C(=O)N(C)C1Cc3ccccc3C1)n2C.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-5-methoxy-N,1-dimethylindole-2-carboxamide?
The InChIKey is SLFLMKKKPZCHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-22(17-10-14-6-4-5-7-15(14)11-17)21(24)20-13-16-12-18(25-3)8-9-19(16)23(20)2/h4-9,12-13,17H,10-11H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-5-methoxy-N,1-dimethylindole-2-carboxamide?
N-(2,3-dihydro-1H-inden-2-yl)-5-methoxy-N,1-dimethylindole-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-5-methoxy-N,1-dimethylindole-2-carboxamide is sourced from PubChem (CID 70756083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).