N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-oxo-4-phenylbutanamide

C21H22N2O2 — CID 2228376

IUPACN-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-oxo-4-phenylbutanamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C21H22N2O2/c1-15-17(18-9-5-6-10-19(18)23-15)13-14-22-21(25)12-11-20(24)16-7-3-2-4-8-16/h2-10,23H,11-14H2,1H3,(H,22,25)
InChIKeyGGDVLEZRUWOZCV-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.80
Rot. Bonds7

About N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-oxo-4-phenylbutanamide

N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-oxo-4-phenylbutanamide (PubChem CID 2228376) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-oxo-4-phenylbutanamide
PubChem CID2228376
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-oxo-4-phenylbutanamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C21H22N2O2/c1-15-17(18-9-5-6-10-19(18)23-15)13-14-22-21(25)12-11-20(24)16-7-3-2-4-8-16/h2-10,23H,11-14H2,1H3,(H,22,25)
InChIKeyGGDVLEZRUWOZCV-UHFFFAOYSA-N
XLogP3.80
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-oxo-4-phenylbutanamide (CID 2228376) is N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-oxo-4-phenylbutanamide is Cc1[nH]c2ccccc2c1CCNC(=O)CCC(=O)c1ccccc1.
What is the InChIKey of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-oxo-4-phenylbutanamide?
The InChIKey is GGDVLEZRUWOZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15-17(18-9-5-6-10-19(18)23-15)13-14-22-21(25)12-11-20(24)16-7-3-2-4-8-16/h2-10,23H,11-14H2,1H3,(H,22,25).
What are the key properties of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-oxo-4-phenylbutanamide?
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-oxo-4-phenylbutanamide has a molecular weight of 334.42 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 2228376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).