2-[4-(1H-indol-3-yl)butanoylamino]-N-propylbenzamide

C22H25N3O2 — CID 34748373

IUPAC2-[4-(1H-indol-3-yl)butanoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H25N3O2/c1-2-14-23-22(27)18-10-4-6-12-20(18)25-21(26)13-7-8-16-15-24-19-11-5-3-9-17(16)19/h3-6,9-12,15,24H,2,7-8,13-14H2,1H3,(H,23,27)(H,25,26)
InChIKeyXGROKWJTJKUEJK-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.27
Rot. Bonds8

About 2-[4-(1H-indol-3-yl)butanoylamino]-N-propylbenzamide

2-[4-(1H-indol-3-yl)butanoylamino]-N-propylbenzamide (PubChem CID 34748373) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[4-(1H-indol-3-yl)butanoylamino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[4-(1H-indol-3-yl)butanoylamino]-N-propylbenzamide
PubChem CID34748373
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-[4-(1H-indol-3-yl)butanoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H25N3O2/c1-2-14-23-22(27)18-10-4-6-12-20(18)25-21(26)13-7-8-16-15-24-19-11-5-3-9-17(16)19/h3-6,9-12,15,24H,2,7-8,13-14H2,1H3,(H,23,27)(H,25,26)
InChIKeyXGROKWJTJKUEJK-UHFFFAOYSA-N
XLogP4.27
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 18162740
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
N-(2-acetylphenyl)-3-(1H-indol-3-yl)propanamide
CID 17403979
2-[3-(1H-indol-3-yl)propanoylamino]benzamide
CID 17415976
[2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate
CID 4024790
N-cyclopropyl-2-[3-(1H-indol-3-yl)propanoylamino]benzamide
CID 2470313
ethyl 2-[[2-[4-(1H-indol-3-yl)butanoyloxy]acetyl]amino]benzoate
CID 7662484
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
CID 62658030
N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
N-[2-(1H-indol-3-yl)ethyl]-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 118711596
N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide
CID 43601757

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-3-yl)butanoylamino]-N-propylbenzamide?
The IUPAC name of 2-[4-(1H-indol-3-yl)butanoylamino]-N-propylbenzamide (CID 34748373) is 2-[4-(1H-indol-3-yl)butanoylamino]-N-propylbenzamide.
What is the SMILES notation for 2-[4-(1H-indol-3-yl)butanoylamino]-N-propylbenzamide?
The canonical SMILES for 2-[4-(1H-indol-3-yl)butanoylamino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NC(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-[4-(1H-indol-3-yl)butanoylamino]-N-propylbenzamide?
The InChIKey is XGROKWJTJKUEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-2-14-23-22(27)18-10-4-6-12-20(18)25-21(26)13-7-8-16-15-24-19-11-5-3-9-17(16)19/h3-6,9-12,15,24H,2,7-8,13-14H2,1H3,(H,23,27)(H,25,26).
What are the key properties of 2-[4-(1H-indol-3-yl)butanoylamino]-N-propylbenzamide?
2-[4-(1H-indol-3-yl)butanoylamino]-N-propylbenzamide has a molecular weight of 363.46 g/mol, XLogP of 4.27, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-3-yl)butanoylamino]-N-propylbenzamide is sourced from PubChem (CID 34748373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).