2-(3-acetyl-5-methylindol-1-yl)-N-methylacetamide

C14H16N2O2 — CID 117098611

IUPAC2-(3-acetyl-5-methylindol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1cc(C(C)=O)c2cc(C)ccc21
InChIInChI=1S/C14H16N2O2/c1-9-4-5-13-11(6-9)12(10(2)17)7-16(13)8-14(18)15-3/h4-7H,8H2,1-3H3,(H,15,18)
InChIKeyNNOQALVXPRXGAV-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.90
Rot. Bonds3

About 2-(3-acetyl-5-methylindol-1-yl)-N-methylacetamide

2-(3-acetyl-5-methylindol-1-yl)-N-methylacetamide (PubChem CID 117098611) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(3-acetyl-5-methylindol-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-acetyl-5-methylindol-1-yl)-N-methylacetamide
PubChem CID117098611
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(3-acetyl-5-methylindol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1cc(C(C)=O)c2cc(C)ccc21
InChIInChI=1S/C14H16N2O2/c1-9-4-5-13-11(6-9)12(10(2)17)7-16(13)8-14(18)15-3/h4-7H,8H2,1-3H3,(H,15,18)
InChIKeyNNOQALVXPRXGAV-UHFFFAOYSA-N
XLogP1.90
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone
CID 117098609
1-(3-acetyl-6-methylindol-1-yl)propan-2-one
CID 126628917
1-[5-methyl-1-[2-[(3-prop-1-en-2-yl-1-prop-2-enylindol-5-yl)methyl]prop-2-enyl]indol-3-yl]ethanone
CID 145105672
1-ethyl-5-methylindole-3-carboxylic acid
CID 52911028
2-(3-acetyl-5-bromoindol-1-yl)acetic acid
CID 83948120
1-(1-cyclopropyl-5-methylindol-3-yl)ethanone
CID 115028386
1-[5-bromo-1-(2-methylprop-2-enyl)indol-3-yl]ethanone
CID 117098702
1-[5-bromo-1-[(4-methylphenyl)methyl]indol-3-yl]ethanone
CID 83526142
N-(3,4-dimethylphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 16825382
N,1,5-trimethylindole-3-carboxamide
CID 25149961
2-(3-acetylindol-1-yl)-N-tert-butylacetamide
CID 972491
1-(1-ethyl-5-hydroxyindol-3-yl)ethanone
CID 117121155

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-5-methylindol-1-yl)-N-methylacetamide?
The IUPAC name of 2-(3-acetyl-5-methylindol-1-yl)-N-methylacetamide (CID 117098611) is 2-(3-acetyl-5-methylindol-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(3-acetyl-5-methylindol-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(3-acetyl-5-methylindol-1-yl)-N-methylacetamide is CNC(=O)Cn1cc(C(C)=O)c2cc(C)ccc21.
What is the InChIKey of 2-(3-acetyl-5-methylindol-1-yl)-N-methylacetamide?
The InChIKey is NNOQALVXPRXGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-4-5-13-11(6-9)12(10(2)17)7-16(13)8-14(18)15-3/h4-7H,8H2,1-3H3,(H,15,18).
What are the key properties of 2-(3-acetyl-5-methylindol-1-yl)-N-methylacetamide?
2-(3-acetyl-5-methylindol-1-yl)-N-methylacetamide has a molecular weight of 244.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-5-methylindol-1-yl)-N-methylacetamide is sourced from PubChem (CID 117098611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).