N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide

C25H25N3O2 — CID 54810873

IUPACN-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cccc(NC(=O)CN2CCc3ccccc32)c1
InChIInChI=1S/C25H25N3O2/c29-24(14-13-19-7-2-1-3-8-19)26-21-10-6-11-22(17-21)27-25(30)18-28-16-15-20-9-4-5-12-23(20)28/h1-12,17H,13-16,18H2,(H,26,29)(H,27,30)
InChIKeyJZMBKBKFTSMTMY-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.26
Rot. Bonds7

About N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide

N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide (PubChem CID 54810873) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide
PubChem CID54810873
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cccc(NC(=O)CN2CCc3ccccc32)c1
InChIInChI=1S/C25H25N3O2/c29-24(14-13-19-7-2-1-3-8-19)26-21-10-6-11-22(17-21)27-25(30)18-28-16-15-20-9-4-5-12-23(20)28/h1-12,17H,13-16,18H2,(H,26,29)(H,27,30)
InChIKeyJZMBKBKFTSMTMY-UHFFFAOYSA-N
XLogP4.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(2,3-dihydroindol-1-yl)-N-phenylacetamide
CID 22199878
N-benzyl-3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]benzamide
CID 54810849
N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54810898
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814565
2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 22199883
2-(2,3-dihydroindol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4783327
2-(2,3-dihydroindol-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 54810775
3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54810846
2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)acetamide
CID 2402749
N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817030
2-(2,3-dihydroindol-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8704361
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide (CID 54810873) is N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cccc(NC(=O)CN2CCc3ccccc32)c1.
What is the InChIKey of N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide?
The InChIKey is JZMBKBKFTSMTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c29-24(14-13-19-7-2-1-3-8-19)26-21-10-6-11-22(17-21)27-25(30)18-28-16-15-20-9-4-5-12-23(20)28/h1-12,17H,13-16,18H2,(H,26,29)(H,27,30).
What are the key properties of N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide?
N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide has a molecular weight of 399.49 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 54810873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).