N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]benzamide

C19H20N2O — CID 113086186

IUPACN-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]benzamide
SMILESCc1ccc2[nH]c(C)c(CCNC(=O)c3ccccc3)c2c1
InChIInChI=1S/C19H20N2O/c1-13-8-9-18-17(12-13)16(14(2)21-18)10-11-20-19(22)15-6-4-3-5-7-15/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)
InChIKeyROEBPZFFLFWSTA-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.76
Rot. Bonds4

About N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]benzamide

N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]benzamide (PubChem CID 113086186) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]benzamide
PubChem CID113086186
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]benzamide
SMILESCc1ccc2[nH]c(C)c(CCNC(=O)c3ccccc3)c2c1
InChIInChI=1S/C19H20N2O/c1-13-8-9-18-17(12-13)16(14(2)21-18)10-11-20-19(22)15-6-4-3-5-7-15/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)
InChIKeyROEBPZFFLFWSTA-UHFFFAOYSA-N
XLogP3.76
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.76
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

N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 113086198
4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776348
4-bromo-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086005
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113086180
3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 110789064
1-butyl-3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]thiourea
CID 43953000
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 16763802
N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyridine-3-carboxamide
CID 617833
2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086116
2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776329
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 113086011

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]benzamide (CID 113086186) is N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]benzamide is Cc1ccc2[nH]c(C)c(CCNC(=O)c3ccccc3)c2c1.
What is the InChIKey of N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]benzamide?
The InChIKey is ROEBPZFFLFWSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-13-8-9-18-17(12-13)16(14(2)21-18)10-11-20-19(22)15-6-4-3-5-7-15/h3-9,12,21H,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]benzamide?
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]benzamide has a molecular weight of 292.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 113086186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).