2-oxo-2-[2-(4-phenylphenyl)-1H-indol-3-yl]-N,N-dipropylacetamide

C28H28N2O2 — CID 122183513

IUPAC2-oxo-2-[2-(4-phenylphenyl)-1H-indol-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)C(=O)c1c(-c2ccc(-c3ccccc3)cc2)[nH]c2ccccc12
InChIInChI=1S/C28H28N2O2/c1-3-18-30(19-4-2)28(32)27(31)25-23-12-8-9-13-24(23)29-26(25)22-16-14-21(15-17-22)20-10-6-5-7-11-20/h5-17,29H,3-4,18-19H2,1-2H3
InChIKeyQQWQBWGPTUUIBV-UHFFFAOYSA-N
MW424.54 g/mol
LogP6.33
Rot. Bonds8

About 2-oxo-2-[2-(4-phenylphenyl)-1H-indol-3-yl]-N,N-dipropylacetamide

2-oxo-2-[2-(4-phenylphenyl)-1H-indol-3-yl]-N,N-dipropylacetamide (PubChem CID 122183513) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is 2-oxo-2-[2-(4-phenylphenyl)-1H-indol-3-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-oxo-2-[2-(4-phenylphenyl)-1H-indol-3-yl]-N,N-dipropylacetamide
PubChem CID122183513
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC Name2-oxo-2-[2-(4-phenylphenyl)-1H-indol-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)C(=O)c1c(-c2ccc(-c3ccccc3)cc2)[nH]c2ccccc12
InChIInChI=1S/C28H28N2O2/c1-3-18-30(19-4-2)28(32)27(31)25-23-12-8-9-13-24(23)29-26(25)22-16-14-21(15-17-22)20-10-6-5-7-11-20/h5-17,29H,3-4,18-19H2,1-2H3
InChIKeyQQWQBWGPTUUIBV-UHFFFAOYSA-N
XLogP6.33
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[2-(4-phenylphenyl)-1H-indol-3-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-oxo-2-[2-(4-phenylphenyl)-1H-indol-3-yl]-N,N-dipropylacetamide (CID 122183513) is 2-oxo-2-[2-(4-phenylphenyl)-1H-indol-3-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-oxo-2-[2-(4-phenylphenyl)-1H-indol-3-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-oxo-2-[2-(4-phenylphenyl)-1H-indol-3-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(-c3ccccc3)cc2)[nH]c2ccccc12.
What is the InChIKey of 2-oxo-2-[2-(4-phenylphenyl)-1H-indol-3-yl]-N,N-dipropylacetamide?
The InChIKey is QQWQBWGPTUUIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O2/c1-3-18-30(19-4-2)28(32)27(31)25-23-12-8-9-13-24(23)29-26(25)22-16-14-21(15-17-22)20-10-6-5-7-11-20/h5-17,29H,3-4,18-19H2,1-2H3.
What are the key properties of 2-oxo-2-[2-(4-phenylphenyl)-1H-indol-3-yl]-N,N-dipropylacetamide?
2-oxo-2-[2-(4-phenylphenyl)-1H-indol-3-yl]-N,N-dipropylacetamide has a molecular weight of 424.54 g/mol, XLogP of 6.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[2-(4-phenylphenyl)-1H-indol-3-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 122183513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).