N-[2-(1-benzyl-2-methylindol-3-yl)ethyl]acetamide

C20H22N2O — CID 672975

IUPACN-[2-(1-benzyl-2-methylindol-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c(C)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C20H22N2O/c1-15-18(12-13-21-16(2)23)19-10-6-7-11-20(19)22(15)14-17-8-4-3-5-9-17/h3-11H,12-14H2,1-2H3,(H,21,23)
InChIKeyPLPGRZPOHWQLQL-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.68
Rot. Bonds5

About N-[2-(1-benzyl-2-methylindol-3-yl)ethyl]acetamide

N-[2-(1-benzyl-2-methylindol-3-yl)ethyl]acetamide (PubChem CID 672975) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-(1-benzyl-2-methylindol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-benzyl-2-methylindol-3-yl)ethyl]acetamide
PubChem CID672975
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC NameN-[2-(1-benzyl-2-methylindol-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c(C)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C20H22N2O/c1-15-18(12-13-21-16(2)23)19-10-6-7-11-20(19)22(15)14-17-8-4-3-5-9-17/h3-11H,12-14H2,1-2H3,(H,21,23)
InChIKeyPLPGRZPOHWQLQL-UHFFFAOYSA-N
XLogP3.68
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Panobinostat
CID 6918837
Iprindole
CID 21722
Rimcazole
CID 53389
3-Amino-9-ethylcarbazole
CID 8588
Mebhydrolin
CID 22530
LE-300
CID 4350931
Ethanone, 1-(1H-indol-1-yl)-
CID 68470
1-Methyl-1H-indole-3-ethylamine
CID 23492
4,9-Dihydro-1-methyl-3H-pyrido(3,4-b)indole
CID 160510
N-Acetyltryptamine
CID 70547
Avn-101
CID 42631003
N-ethyl carbazole
CID 6836

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzyl-2-methylindol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(1-benzyl-2-methylindol-3-yl)ethyl]acetamide (CID 672975) is N-[2-(1-benzyl-2-methylindol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(1-benzyl-2-methylindol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(1-benzyl-2-methylindol-3-yl)ethyl]acetamide is CC(=O)NCCc1c(C)n(Cc2ccccc2)c2ccccc12.
What is the InChIKey of N-[2-(1-benzyl-2-methylindol-3-yl)ethyl]acetamide?
The InChIKey is PLPGRZPOHWQLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-15-18(12-13-21-16(2)23)19-10-6-7-11-20(19)22(15)14-17-8-4-3-5-9-17/h3-11H,12-14H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(1-benzyl-2-methylindol-3-yl)ethyl]acetamide?
N-[2-(1-benzyl-2-methylindol-3-yl)ethyl]acetamide has a molecular weight of 306.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzyl-2-methylindol-3-yl)ethyl]acetamide is sourced from PubChem (CID 672975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).