2-(3-acetylindol-1-yl)-N-propylacetamide

C15H18N2O2 — CID 117098452

IUPAC2-(3-acetylindol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1cc(C(C)=O)c2ccccc21
InChIInChI=1S/C15H18N2O2/c1-3-8-16-15(19)10-17-9-13(11(2)18)12-6-4-5-7-14(12)17/h4-7,9H,3,8,10H2,1-2H3,(H,16,19)
InChIKeyDUNOTAWRGZCQSV-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.37
Rot. Bonds5

About 2-(3-acetylindol-1-yl)-N-propylacetamide

2-(3-acetylindol-1-yl)-N-propylacetamide (PubChem CID 117098452) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(3-acetylindol-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-acetylindol-1-yl)-N-propylacetamide
PubChem CID117098452
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(3-acetylindol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1cc(C(C)=O)c2ccccc21
InChIInChI=1S/C15H18N2O2/c1-3-8-16-15(19)10-17-9-13(11(2)18)12-6-4-5-7-14(12)17/h4-7,9H,3,8,10H2,1-2H3,(H,16,19)
InChIKeyDUNOTAWRGZCQSV-UHFFFAOYSA-N
XLogP2.37
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[2-(3-acetylindol-1-yl)acetyl]amino]hexanoic acid
CID 45492699
2-(3-acetylindol-1-yl)-N-tert-butylacetamide
CID 972491
2-(3-cyanoindol-1-yl)-N-propylacetamide
CID 46858778
2-(3-butanoylindol-1-yl)-N-(2-phenylethyl)acetamide
CID 4655442
2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide
CID 30558630
2-(3-acetylindol-1-yl)-N-[2-(5-methoxyindol-1-yl)ethyl]acetamide
CID 56763655
2-[3-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-propylacetamide
CID 53071580
2-(3-acetylindol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 1088565
2-(3-acetylindol-1-yl)acetaldehyde
CID 130321343
1-benzyl-N-propylindole-3-carboxamide
CID 24654500
N,N-diethyl-2-oxo-2-[1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-yl]acetamide
CID 5298767
tert-butyl 2-(3-acetylindol-1-yl)acetate
CID 118322378

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylindol-1-yl)-N-propylacetamide?
The IUPAC name of 2-(3-acetylindol-1-yl)-N-propylacetamide (CID 117098452) is 2-(3-acetylindol-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(3-acetylindol-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(3-acetylindol-1-yl)-N-propylacetamide is CCCNC(=O)Cn1cc(C(C)=O)c2ccccc21.
What is the InChIKey of 2-(3-acetylindol-1-yl)-N-propylacetamide?
The InChIKey is DUNOTAWRGZCQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-8-16-15(19)10-17-9-13(11(2)18)12-6-4-5-7-14(12)17/h4-7,9H,3,8,10H2,1-2H3,(H,16,19).
What are the key properties of 2-(3-acetylindol-1-yl)-N-propylacetamide?
2-(3-acetylindol-1-yl)-N-propylacetamide has a molecular weight of 258.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylindol-1-yl)-N-propylacetamide is sourced from PubChem (CID 117098452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).