2-(1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide

C19H18N2O2 — CID 7117334

IUPAC2-(1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide
SMILESO=C(NCCCc1ccccc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H18N2O2/c22-18(16-13-21-17-11-5-4-10-15(16)17)19(23)20-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,13,21H,6,9,12H2,(H,20,23)
InChIKeyGOYJKJWZABKDJP-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.10
Rot. Bonds6

About 2-(1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide

2-(1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide (PubChem CID 7117334) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide
PubChem CID7117334
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-(1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide
SMILESO=C(NCCCc1ccccc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H18N2O2/c22-18(16-13-21-17-11-5-4-10-15(16)17)19(23)20-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,13,21H,6,9,12H2,(H,20,23)
InChIKeyGOYJKJWZABKDJP-UHFFFAOYSA-N
XLogP3.10
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide (CID 7117334) is 2-(1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide is O=C(NCCCc1ccccc1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide?
The InChIKey is GOYJKJWZABKDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-18(16-13-21-17-11-5-4-10-15(16)17)19(23)20-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,13,21H,6,9,12H2,(H,20,23).
What are the key properties of 2-(1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide?
2-(1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide has a molecular weight of 306.37 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 7117334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).