2,3-dihydroindol-1-yl-[3-[(3-propan-2-ylphenyl)methylamino]phenyl]methanone

C25H26N2O — CID 154866237

IUPAC2,3-dihydroindol-1-yl-[3-[(3-propan-2-ylphenyl)methylamino]phenyl]methanone
SMILESCC(C)c1cccc(CNc2cccc(C(=O)N3CCc4ccccc43)c2)c1
InChIInChI=1S/C25H26N2O/c1-18(2)21-9-5-7-19(15-21)17-26-23-11-6-10-22(16-23)25(28)27-14-13-20-8-3-4-12-24(20)27/h3-12,15-16,18,26H,13-14,17H2,1-2H3
InChIKeyRYEWBASFKDJLRX-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.62
Rot. Bonds5

About 2,3-dihydroindol-1-yl-[3-[(3-propan-2-ylphenyl)methylamino]phenyl]methanone

2,3-dihydroindol-1-yl-[3-[(3-propan-2-ylphenyl)methylamino]phenyl]methanone (PubChem CID 154866237) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[3-[(3-propan-2-ylphenyl)methylamino]phenyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[3-[(3-propan-2-ylphenyl)methylamino]phenyl]methanone
PubChem CID154866237
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name2,3-dihydroindol-1-yl-[3-[(3-propan-2-ylphenyl)methylamino]phenyl]methanone
SMILESCC(C)c1cccc(CNc2cccc(C(=O)N3CCc4ccccc43)c2)c1
InChIInChI=1S/C25H26N2O/c1-18(2)21-9-5-7-19(15-21)17-26-23-11-6-10-22(16-23)25(28)27-14-13-20-8-3-4-12-24(20)27/h3-12,15-16,18,26H,13-14,17H2,1-2H3
InChIKeyRYEWBASFKDJLRX-UHFFFAOYSA-N
XLogP5.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 26290520
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide
CID 8001369
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 60614335
2,3-dihydroindol-1-yl-[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]methanone
CID 109255992
2,3-dihydroindol-1-yl-[5-(pyridin-4-ylmethylamino)-3-pyridinyl]methanone
CID 109235678
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
4-[2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetyl]piperazin-2-one
CID 60607708
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-(2-hydroxyethyl)urea
CID 60614369
4-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methoxybutanamide
CID 120590924
N-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]propanamide
CID 17309643
(2S)-2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methylsulfanylbutanamide
CID 119310528
3-(2,3-dihydroindole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 26681015

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[3-[(3-propan-2-ylphenyl)methylamino]phenyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[3-[(3-propan-2-ylphenyl)methylamino]phenyl]methanone (CID 154866237) is 2,3-dihydroindol-1-yl-[3-[(3-propan-2-ylphenyl)methylamino]phenyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[3-[(3-propan-2-ylphenyl)methylamino]phenyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[3-[(3-propan-2-ylphenyl)methylamino]phenyl]methanone is CC(C)c1cccc(CNc2cccc(C(=O)N3CCc4ccccc43)c2)c1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[3-[(3-propan-2-ylphenyl)methylamino]phenyl]methanone?
The InChIKey is RYEWBASFKDJLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-18(2)21-9-5-7-19(15-21)17-26-23-11-6-10-22(16-23)25(28)27-14-13-20-8-3-4-12-24(20)27/h3-12,15-16,18,26H,13-14,17H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-[3-[(3-propan-2-ylphenyl)methylamino]phenyl]methanone?
2,3-dihydroindol-1-yl-[3-[(3-propan-2-ylphenyl)methylamino]phenyl]methanone has a molecular weight of 370.50 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[3-[(3-propan-2-ylphenyl)methylamino]phenyl]methanone is sourced from PubChem (CID 154866237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).