2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide

C15H18N2O — CID 114619029

IUPAC2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CNC(=O)Cc1c(C)[nH]c2ccccc12
InChIInChI=1S/C15H18N2O/c1-10(2)9-16-15(18)8-13-11(3)17-14-7-5-4-6-12(13)14/h4-7,17H,1,8-9H2,2-3H3,(H,16,18)
InChIKeyXDKXZLXCZYORHT-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.71
Rot. Bonds4

About 2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide

2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide (PubChem CID 114619029) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide
PubChem CID114619029
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CNC(=O)Cc1c(C)[nH]c2ccccc12
InChIInChI=1S/C15H18N2O/c1-10(2)9-16-15(18)8-13-11(3)17-14-7-5-4-6-12(13)14/h4-7,17H,1,8-9H2,2-3H3,(H,16,18)
InChIKeyXDKXZLXCZYORHT-UHFFFAOYSA-N
XLogP2.71
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 86925978
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-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110833859
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
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-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
methyl 2-[(2-methyl-1H-indol-3-yl)methyl]prop-2-enoate
CID 15946262
N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 103772449
N-(2-hydroxyphenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31984043
2-methyl-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide
CID 46596321

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide (CID 114619029) is 2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide is C=C(C)CNC(=O)Cc1c(C)[nH]c2ccccc12.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is XDKXZLXCZYORHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10(2)9-16-15(18)8-13-11(3)17-14-7-5-4-6-12(13)14/h4-7,17H,1,8-9H2,2-3H3,(H,16,18).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide?
2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 242.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 114619029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).