N-cyano-3-[1-phenyl-3-(2-phenylethyl)indol-5-yl]propanamide

C26H23N3O — CID 59317878

IUPACN-cyano-3-[1-phenyl-3-(2-phenylethyl)indol-5-yl]propanamide
SMILESN#CNC(=O)CCc1ccc2c(c1)c(CCc1ccccc1)cn2-c1ccccc1
InChIInChI=1S/C26H23N3O/c27-19-28-26(30)16-13-21-12-15-25-24(17-21)22(14-11-20-7-3-1-4-8-20)18-29(25)23-9-5-2-6-10-23/h1-10,12,15,17-18H,11,13-14,16H2,(H,28,30)
InChIKeyVDOHKNPUILZQPB-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.95
Rot. Bonds7

About N-cyano-3-[1-phenyl-3-(2-phenylethyl)indol-5-yl]propanamide

N-cyano-3-[1-phenyl-3-(2-phenylethyl)indol-5-yl]propanamide (PubChem CID 59317878) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is N-cyano-3-[1-phenyl-3-(2-phenylethyl)indol-5-yl]propanamide.

Molecular Properties

Compound NameN-cyano-3-[1-phenyl-3-(2-phenylethyl)indol-5-yl]propanamide
PubChem CID59317878
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC NameN-cyano-3-[1-phenyl-3-(2-phenylethyl)indol-5-yl]propanamide
SMILESN#CNC(=O)CCc1ccc2c(c1)c(CCc1ccccc1)cn2-c1ccccc1
InChIInChI=1S/C26H23N3O/c27-19-28-26(30)16-13-21-12-15-25-24(17-21)22(14-11-20-7-3-1-4-8-20)18-29(25)23-9-5-2-6-10-23/h1-10,12,15,17-18H,11,13-14,16H2,(H,28,30)
InChIKeyVDOHKNPUILZQPB-UHFFFAOYSA-N
XLogP4.95
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyano-3-[1-phenyl-3-(2-phenylethyl)indol-5-yl]propanamide?
The IUPAC name of N-cyano-3-[1-phenyl-3-(2-phenylethyl)indol-5-yl]propanamide (CID 59317878) is N-cyano-3-[1-phenyl-3-(2-phenylethyl)indol-5-yl]propanamide.
What is the SMILES notation for N-cyano-3-[1-phenyl-3-(2-phenylethyl)indol-5-yl]propanamide?
The canonical SMILES for N-cyano-3-[1-phenyl-3-(2-phenylethyl)indol-5-yl]propanamide is N#CNC(=O)CCc1ccc2c(c1)c(CCc1ccccc1)cn2-c1ccccc1.
What is the InChIKey of N-cyano-3-[1-phenyl-3-(2-phenylethyl)indol-5-yl]propanamide?
The InChIKey is VDOHKNPUILZQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O/c27-19-28-26(30)16-13-21-12-15-25-24(17-21)22(14-11-20-7-3-1-4-8-20)18-29(25)23-9-5-2-6-10-23/h1-10,12,15,17-18H,11,13-14,16H2,(H,28,30).
What are the key properties of N-cyano-3-[1-phenyl-3-(2-phenylethyl)indol-5-yl]propanamide?
N-cyano-3-[1-phenyl-3-(2-phenylethyl)indol-5-yl]propanamide has a molecular weight of 393.49 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-3-[1-phenyl-3-(2-phenylethyl)indol-5-yl]propanamide is sourced from PubChem (CID 59317878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).