N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-2-[4-(3-oxobutyl)phenoxy]acetamide

C24H29N3O3 — CID 49498784

IUPACN-[1-[2-(dimethylamino)ethyl]indol-5-yl]-2-[4-(3-oxobutyl)phenoxy]acetamide
SMILESCC(=O)CCc1ccc(OCC(=O)Nc2ccc3c(ccn3CCN(C)C)c2)cc1
InChIInChI=1S/C24H29N3O3/c1-18(28)4-5-19-6-9-22(10-7-19)30-17-24(29)25-21-8-11-23-20(16-21)12-13-27(23)15-14-26(2)3/h6-13,16H,4-5,14-15,17H2,1-3H3,(H,25,29)
InChIKeyYCQKZSDGJPMEPG-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.74
Rot. Bonds10

About N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-2-[4-(3-oxobutyl)phenoxy]acetamide

N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-2-[4-(3-oxobutyl)phenoxy]acetamide (PubChem CID 49498784) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-2-[4-(3-oxobutyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]indol-5-yl]-2-[4-(3-oxobutyl)phenoxy]acetamide
PubChem CID49498784
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[1-[2-(dimethylamino)ethyl]indol-5-yl]-2-[4-(3-oxobutyl)phenoxy]acetamide
SMILESCC(=O)CCc1ccc(OCC(=O)Nc2ccc3c(ccn3CCN(C)C)c2)cc1
InChIInChI=1S/C24H29N3O3/c1-18(28)4-5-19-6-9-22(10-7-19)30-17-24(29)25-21-8-11-23-20(16-21)12-13-27(23)15-14-26(2)3/h6-13,16H,4-5,14-15,17H2,1-3H3,(H,25,29)
InChIKeyYCQKZSDGJPMEPG-UHFFFAOYSA-N
XLogP3.74
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-butylphenyl)-3-[1-[2-(dimethylamino)ethyl]indol-5-yl]urea
CID 91111671
N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-(4-nitrophenoxy)acetamide
CID 60606989
N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 49499379
N-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 49499136
2-(1-adamantyl)-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]acetamide
CID 20660002
2-[4-(3-oxobutyl)phenoxy]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7643070
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 55308081
1-[1-[2-(dimethylamino)ethyl]indol-5-yl]-3-[3-methyl-4-(2-methylpropoxy)phenyl]urea
CID 91561933
1-[4-(dibutylamino)phenyl]-3-[1-[2-(dimethylamino)ethyl]indol-5-yl]urea
CID 91044427
N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-3-(2-nitroanilino)propanamide
CID 49499018
N-(2,5-dimethoxyphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643093
[1-[2-(dimethylamino)ethyl]indol-5-yl]methanol
CID 102912856

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-2-[4-(3-oxobutyl)phenoxy]acetamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-2-[4-(3-oxobutyl)phenoxy]acetamide (CID 49498784) is N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-2-[4-(3-oxobutyl)phenoxy]acetamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-2-[4-(3-oxobutyl)phenoxy]acetamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-2-[4-(3-oxobutyl)phenoxy]acetamide is CC(=O)CCc1ccc(OCC(=O)Nc2ccc3c(ccn3CCN(C)C)c2)cc1.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-2-[4-(3-oxobutyl)phenoxy]acetamide?
The InChIKey is YCQKZSDGJPMEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-18(28)4-5-19-6-9-22(10-7-19)30-17-24(29)25-21-8-11-23-20(16-21)12-13-27(23)15-14-26(2)3/h6-13,16H,4-5,14-15,17H2,1-3H3,(H,25,29).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-2-[4-(3-oxobutyl)phenoxy]acetamide?
N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-2-[4-(3-oxobutyl)phenoxy]acetamide has a molecular weight of 407.51 g/mol, XLogP of 3.74, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-2-[4-(3-oxobutyl)phenoxy]acetamide is sourced from PubChem (CID 49498784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).