N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide

C21H22N2O — CID 55713643

IUPACN-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NCc1ccc2c(c1)CCC2
InChIInChI=1S/C21H22N2O/c1-14-19(18-7-2-3-8-20(18)23-14)12-21(24)22-13-15-9-10-16-5-4-6-17(16)11-15/h2-3,7-11,23H,4-6,12-13H2,1H3,(H,22,24)
InChIKeyMZKAUQKCWOYWGZ-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.82
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide

N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide (PubChem CID 55713643) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
PubChem CID55713643
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NCc1ccc2c(c1)CCC2
InChIInChI=1S/C21H22N2O/c1-14-19(18-7-2-3-8-20(18)23-14)12-21(24)22-13-15-9-10-16-5-4-6-17(16)11-15/h2-3,7-11,23H,4-6,12-13H2,1H3,(H,22,24)
InChIKeyMZKAUQKCWOYWGZ-UHFFFAOYSA-N
XLogP3.82
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31959852
2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide
CID 114619029
2-(2-methyl-1H-indol-3-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
CID 137200070
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31886769
N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31848406
N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110833859
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 86925978
1-[[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544579
N-(3-hydroxy-2-methylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 65036979
N-(2,3-dihydroxypropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 66175804
N-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31956483

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide (CID 55713643) is N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide is Cc1[nH]c2ccccc2c1CC(=O)NCc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is MZKAUQKCWOYWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-14-19(18-7-2-3-8-20(18)23-14)12-21(24)22-13-15-9-10-16-5-4-6-17(16)11-15/h2-3,7-11,23H,4-6,12-13H2,1H3,(H,22,24).
What are the key properties of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 318.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 55713643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).