N-[2-[[4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide

C26H27N3O2 — CID 162653542

IUPACN-[2-[[4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1ccc(C(=O)N2CCc3c(-c4ccccc4)cccc32)cc1
InChIInChI=1S/C26H27N3O2/c1-19(30)28-16-15-27-18-20-10-12-22(13-11-20)26(31)29-17-14-24-23(8-5-9-25(24)29)21-6-3-2-4-7-21/h2-13,27H,14-18H2,1H3,(H,28,30)
InChIKeyRZHVEGFKCLYFRL-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.78
Rot. Bonds7

About N-[2-[[4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide

N-[2-[[4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide (PubChem CID 162653542) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[2-[[4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide
PubChem CID162653542
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-[2-[[4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1ccc(C(=O)N2CCc3c(-c4ccccc4)cccc32)cc1
InChIInChI=1S/C26H27N3O2/c1-19(30)28-16-15-27-18-20-10-12-22(13-11-20)26(31)29-17-14-24-23(8-5-9-25(24)29)21-6-3-2-4-7-21/h2-13,27H,14-18H2,1H3,(H,28,30)
InChIKeyRZHVEGFKCLYFRL-UHFFFAOYSA-N
XLogP3.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[[4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide (CID 162653542) is N-[2-[[4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide is CC(=O)NCCNCc1ccc(C(=O)N2CCc3c(-c4ccccc4)cccc32)cc1.
What is the InChIKey of N-[2-[[4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide?
The InChIKey is RZHVEGFKCLYFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-19(30)28-16-15-27-18-20-10-12-22(13-11-20)26(31)29-17-14-24-23(8-5-9-25(24)29)21-6-3-2-4-7-21/h2-13,27H,14-18H2,1H3,(H,28,30).
What are the key properties of N-[2-[[4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide?
N-[2-[[4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide has a molecular weight of 413.52 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide is sourced from PubChem (CID 162653542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).