1-[2-oxo-3-(3-phenylphenoxy)propyl]indole-5-carboxamide

C24H20N2O3 — CID 46867929

IUPAC1-[2-oxo-3-(3-phenylphenoxy)propyl]indole-5-carboxamide
SMILESNC(=O)c1ccc2c(ccn2CC(=O)COc2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C24H20N2O3/c25-24(28)20-9-10-23-19(13-20)11-12-26(23)15-21(27)16-29-22-8-4-7-18(14-22)17-5-2-1-3-6-17/h1-14H,15-16H2,(H2,25,28)
InChIKeyTXUOLNJQCMQLAI-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.06
Rot. Bonds7

About 1-[2-oxo-3-(3-phenylphenoxy)propyl]indole-5-carboxamide

1-[2-oxo-3-(3-phenylphenoxy)propyl]indole-5-carboxamide (PubChem CID 46867929) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-[2-oxo-3-(3-phenylphenoxy)propyl]indole-5-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-3-(3-phenylphenoxy)propyl]indole-5-carboxamide
PubChem CID46867929
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name1-[2-oxo-3-(3-phenylphenoxy)propyl]indole-5-carboxamide
SMILESNC(=O)c1ccc2c(ccn2CC(=O)COc2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C24H20N2O3/c25-24(28)20-9-10-23-19(13-20)11-12-26(23)15-21(27)16-29-22-8-4-7-18(14-22)17-5-2-1-3-6-17/h1-14H,15-16H2,(H2,25,28)
InChIKeyTXUOLNJQCMQLAI-UHFFFAOYSA-N
XLogP4.06
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-3-(3-phenylphenoxy)propyl]indole-5-carboxamide?
The IUPAC name of 1-[2-oxo-3-(3-phenylphenoxy)propyl]indole-5-carboxamide (CID 46867929) is 1-[2-oxo-3-(3-phenylphenoxy)propyl]indole-5-carboxamide.
What is the SMILES notation for 1-[2-oxo-3-(3-phenylphenoxy)propyl]indole-5-carboxamide?
The canonical SMILES for 1-[2-oxo-3-(3-phenylphenoxy)propyl]indole-5-carboxamide is NC(=O)c1ccc2c(ccn2CC(=O)COc2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of 1-[2-oxo-3-(3-phenylphenoxy)propyl]indole-5-carboxamide?
The InChIKey is TXUOLNJQCMQLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c25-24(28)20-9-10-23-19(13-20)11-12-26(23)15-21(27)16-29-22-8-4-7-18(14-22)17-5-2-1-3-6-17/h1-14H,15-16H2,(H2,25,28).
What are the key properties of 1-[2-oxo-3-(3-phenylphenoxy)propyl]indole-5-carboxamide?
1-[2-oxo-3-(3-phenylphenoxy)propyl]indole-5-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-3-(3-phenylphenoxy)propyl]indole-5-carboxamide is sourced from PubChem (CID 46867929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).