N,N-dibutyl-2-[2-(4-hydroxyphenyl)-1H-indol-3-yl]-2-oxoacetamide

C24H28N2O3 — CID 122183496

IUPACN,N-dibutyl-2-[2-(4-hydroxyphenyl)-1H-indol-3-yl]-2-oxoacetamide
SMILESCCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc(O)cc2)[nH]c2ccccc12
InChIInChI=1S/C24H28N2O3/c1-3-5-15-26(16-6-4-2)24(29)23(28)21-19-9-7-8-10-20(19)25-22(21)17-11-13-18(27)14-12-17/h7-14,25,27H,3-6,15-16H2,1-2H3
InChIKeyBUELLGNQIWAABH-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.15
Rot. Bonds9

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

N,N-dibutyl-2-[2-(4-hydroxyphenyl)-1H-indol-3-yl]-2-oxoacetamide (PubChem CID 122183496) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N,N-dibutyl-2-[2-(4-hydroxyphenyl)-1H-indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-[2-(4-hydroxyphenyl)-1H-indol-3-yl]-2-oxoacetamide
PubChem CID122183496
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN,N-dibutyl-2-[2-(4-hydroxyphenyl)-1H-indol-3-yl]-2-oxoacetamide
SMILESCCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc(O)cc2)[nH]c2ccccc12
InChIInChI=1S/C24H28N2O3/c1-3-5-15-26(16-6-4-2)24(29)23(28)21-19-9-7-8-10-20(19)25-22(21)17-11-13-18(27)14-12-17/h7-14,25,27H,3-6,15-16H2,1-2H3
InChIKeyBUELLGNQIWAABH-UHFFFAOYSA-N
XLogP5.15
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.15
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 N,N-dibutyl-2-[2-(4-hydroxyphenyl)-1H-indol-3-yl]-2-oxoacetamide?
The IUPAC name of N,N-dibutyl-2-[2-(4-hydroxyphenyl)-1H-indol-3-yl]-2-oxoacetamide (CID 122183496) is N,N-dibutyl-2-[2-(4-hydroxyphenyl)-1H-indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N,N-dibutyl-2-[2-(4-hydroxyphenyl)-1H-indol-3-yl]-2-oxoacetamide?
The canonical SMILES for N,N-dibutyl-2-[2-(4-hydroxyphenyl)-1H-indol-3-yl]-2-oxoacetamide is CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc(O)cc2)[nH]c2ccccc12.
What is the InChIKey of N,N-dibutyl-2-[2-(4-hydroxyphenyl)-1H-indol-3-yl]-2-oxoacetamide?
The InChIKey is BUELLGNQIWAABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-3-5-15-26(16-6-4-2)24(29)23(28)21-19-9-7-8-10-20(19)25-22(21)17-11-13-18(27)14-12-17/h7-14,25,27H,3-6,15-16H2,1-2H3.
What are the key properties of N,N-dibutyl-2-[2-(4-hydroxyphenyl)-1H-indol-3-yl]-2-oxoacetamide?
N,N-dibutyl-2-[2-(4-hydroxyphenyl)-1H-indol-3-yl]-2-oxoacetamide has a molecular weight of 392.50 g/mol, XLogP of 5.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-[2-(4-hydroxyphenyl)-1H-indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 122183496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).