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

C23H26N2O3 — CID 122183504

IUPAC2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)C(=O)c1c(-c2ccc(OC)cc2)[nH]c2ccccc12
InChIInChI=1S/C23H26N2O3/c1-4-14-25(15-5-2)23(27)22(26)20-18-8-6-7-9-19(18)24-21(20)16-10-12-17(28-3)13-11-16/h6-13,24H,4-5,14-15H2,1-3H3
InChIKeyXHYFVQKFEIIFRD-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.67
Rot. Bonds8

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

2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide (PubChem CID 122183504) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide
PubChem CID122183504
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)C(=O)c1c(-c2ccc(OC)cc2)[nH]c2ccccc12
InChIInChI=1S/C23H26N2O3/c1-4-14-25(15-5-2)23(27)22(26)20-18-8-6-7-9-19(18)24-21(20)16-10-12-17(28-3)13-11-16/h6-13,24H,4-5,14-15H2,1-3H3
InChIKeyXHYFVQKFEIIFRD-UHFFFAOYSA-N
XLogP4.67
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 56841530
Fumitremorgin C
CID 403923
Tryprostatin A
CID 9929833
2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397641
Hortiacine
CID 378227
Asp-9521
CID 25210792
Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
CID 211017
2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one
CID 87372
Koeniginequinone A
CID 11264975
5-Methoxyluzindole
CID 129776
2-Phenylmelatonin
CID 4018512
2-(1-Benzyl-5-methoxy-2-methyl-1h-indol-3-yl)acetamide
CID 244154

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide (CID 122183504) is 2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide is CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(OC)cc2)[nH]c2ccccc12.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide?
The InChIKey is XHYFVQKFEIIFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-4-14-25(15-5-2)23(27)22(26)20-18-8-6-7-9-19(18)24-21(20)16-10-12-17(28-3)13-11-16/h6-13,24H,4-5,14-15H2,1-3H3.
What are the key properties of 2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide?
2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide has a molecular weight of 378.47 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide is sourced from PubChem (CID 122183504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).