N-(2-acetamidoethyl)-3-(2-methylindol-1-yl)propanamide

C16H21N3O2 — CID 46988095

IUPACN-(2-acetamidoethyl)-3-(2-methylindol-1-yl)propanamide
SMILESCC(=O)NCCNC(=O)CCn1c(C)cc2ccccc21
InChIInChI=1S/C16H21N3O2/c1-12-11-14-5-3-4-6-15(14)19(12)10-7-16(21)18-9-8-17-13(2)20/h3-6,11H,7-10H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyIVXLRRHTNIDOIF-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.59
Rot. Bonds6

About N-(2-acetamidoethyl)-3-(2-methylindol-1-yl)propanamide

N-(2-acetamidoethyl)-3-(2-methylindol-1-yl)propanamide (PubChem CID 46988095) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-(2-methylindol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3-(2-methylindol-1-yl)propanamide
PubChem CID46988095
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(2-acetamidoethyl)-3-(2-methylindol-1-yl)propanamide
SMILESCC(=O)NCCNC(=O)CCn1c(C)cc2ccccc21
InChIInChI=1S/C16H21N3O2/c1-12-11-14-5-3-4-6-15(14)19(12)10-7-16(21)18-9-8-17-13(2)20/h3-6,11H,7-10H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyIVXLRRHTNIDOIF-UHFFFAOYSA-N
XLogP1.59
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-3-(2-methylindol-1-yl)propanamide?
The IUPAC name of N-(2-acetamidoethyl)-3-(2-methylindol-1-yl)propanamide (CID 46988095) is N-(2-acetamidoethyl)-3-(2-methylindol-1-yl)propanamide.
What is the SMILES notation for N-(2-acetamidoethyl)-3-(2-methylindol-1-yl)propanamide?
The canonical SMILES for N-(2-acetamidoethyl)-3-(2-methylindol-1-yl)propanamide is CC(=O)NCCNC(=O)CCn1c(C)cc2ccccc21.
What is the InChIKey of N-(2-acetamidoethyl)-3-(2-methylindol-1-yl)propanamide?
The InChIKey is IVXLRRHTNIDOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-11-14-5-3-4-6-15(14)19(12)10-7-16(21)18-9-8-17-13(2)20/h3-6,11H,7-10H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-(2-acetamidoethyl)-3-(2-methylindol-1-yl)propanamide?
N-(2-acetamidoethyl)-3-(2-methylindol-1-yl)propanamide has a molecular weight of 287.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-3-(2-methylindol-1-yl)propanamide is sourced from PubChem (CID 46988095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).