4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide

C25H28N4O2 — CID 42506947

IUPAC4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCCNC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C25H28N4O2/c30-24(11-5-6-18-16-28-22-9-3-1-7-20(18)22)26-14-15-27-25(31)13-12-19-17-29-23-10-4-2-8-21(19)23/h1-4,7-10,16-17,28-29H,5-6,11-15H2,(H,26,30)(H,27,31)
InChIKeySSWJVUYUBWFXBV-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.84
Rot. Bonds10

About 4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide

4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide (PubChem CID 42506947) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
PubChem CID42506947
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCCNC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C25H28N4O2/c30-24(11-5-6-18-16-28-22-9-3-1-7-20(18)22)26-14-15-27-25(31)13-12-19-17-29-23-10-4-2-8-21(19)23/h1-4,7-10,16-17,28-29H,5-6,11-15H2,(H,26,30)(H,27,31)
InChIKeySSWJVUYUBWFXBV-UHFFFAOYSA-N
XLogP3.84
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
CID 62658030
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 18162740
N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide
CID 43601757
N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 4796028
N-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide
CID 43591663
6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 61259839
3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide
CID 43582891
N-[2-[4-(1H-indol-3-yl)butanoylamino]ethyl]-4-(trifluoromethyl)benzamide
CID 55545954
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride
CID 75493600

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide (CID 42506947) is 4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide is O=C(CCCc1c[nH]c2ccccc12)NCCNC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of 4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide?
The InChIKey is SSWJVUYUBWFXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c30-24(11-5-6-18-16-28-22-9-3-1-7-20(18)22)26-14-15-27-25(31)13-12-19-17-29-23-10-4-2-8-21(19)23/h1-4,7-10,16-17,28-29H,5-6,11-15H2,(H,26,30)(H,27,31).
What are the key properties of 4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide?
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide has a molecular weight of 416.53 g/mol, XLogP of 3.84, 10 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide is sourced from PubChem (CID 42506947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).