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

C22H24N2O3 — CID 122183495

IUPAC2-[2-(4-hydroxyphenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)C(=O)c1c(-c2ccc(O)cc2)[nH]c2ccccc12
InChIInChI=1S/C22H24N2O3/c1-3-13-24(14-4-2)22(27)21(26)19-17-7-5-6-8-18(17)23-20(19)15-9-11-16(25)12-10-15/h5-12,23,25H,3-4,13-14H2,1-2H3
InChIKeyBUJBFIBDTAKZIW-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.37
Rot. Bonds7

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

2-[2-(4-hydroxyphenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide (PubChem CID 122183495) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[2-(4-hydroxyphenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[2-(4-hydroxyphenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide
PubChem CID122183495
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name2-[2-(4-hydroxyphenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)C(=O)c1c(-c2ccc(O)cc2)[nH]c2ccccc12
InChIInChI=1S/C22H24N2O3/c1-3-13-24(14-4-2)22(27)21(26)19-17-7-5-6-8-18(17)23-20(19)15-9-11-16(25)12-10-15/h5-12,23,25H,3-4,13-14H2,1-2H3
InChIKeyBUJBFIBDTAKZIW-UHFFFAOYSA-N
XLogP4.37
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-(4-hydroxyphenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide?
The IUPAC name of 2-[2-(4-hydroxyphenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide (CID 122183495) is 2-[2-(4-hydroxyphenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide.
What is the SMILES notation for 2-[2-(4-hydroxyphenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide?
The canonical SMILES for 2-[2-(4-hydroxyphenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide is CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(O)cc2)[nH]c2ccccc12.
What is the InChIKey of 2-[2-(4-hydroxyphenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide?
The InChIKey is BUJBFIBDTAKZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-3-13-24(14-4-2)22(27)21(26)19-17-7-5-6-8-18(17)23-20(19)15-9-11-16(25)12-10-15/h5-12,23,25H,3-4,13-14H2,1-2H3.
What are the key properties of 2-[2-(4-hydroxyphenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide?
2-[2-(4-hydroxyphenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide has a molecular weight of 364.45 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyphenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide is sourced from PubChem (CID 122183495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).