(2R)-1-(2,3-dihydroindol-1-yl)-2-naphthalen-2-yloxybutan-1-one

C22H21NO2 — CID 1225094

IUPAC(2R)-1-(2,3-dihydroindol-1-yl)-2-naphthalen-2-yloxybutan-1-one
SMILESCC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C22H21NO2/c1-2-21(22(24)23-14-13-17-8-5-6-10-20(17)23)25-19-12-11-16-7-3-4-9-18(16)15-19/h3-12,15,21H,2,13-14H2,1H3/t21-/m1/s1
InChIKeyKBWYGSSECXLYSO-OAQYLSRUSA-N
MW331.42 g/mol
LogP4.59
Rot. Bonds4

About (2R)-1-(2,3-dihydroindol-1-yl)-2-naphthalen-2-yloxybutan-1-one

(2R)-1-(2,3-dihydroindol-1-yl)-2-naphthalen-2-yloxybutan-1-one (PubChem CID 1225094) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2R)-1-(2,3-dihydroindol-1-yl)-2-naphthalen-2-yloxybutan-1-one.

Molecular Properties

Compound Name(2R)-1-(2,3-dihydroindol-1-yl)-2-naphthalen-2-yloxybutan-1-one
PubChem CID1225094
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name(2R)-1-(2,3-dihydroindol-1-yl)-2-naphthalen-2-yloxybutan-1-one
SMILESCC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C22H21NO2/c1-2-21(22(24)23-14-13-17-8-5-6-10-20(17)23)25-19-12-11-16-7-3-4-9-18(16)15-19/h3-12,15,21H,2,13-14H2,1H3/t21-/m1/s1
InChIKeyKBWYGSSECXLYSO-OAQYLSRUSA-N
XLogP4.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-1-(2,3-dihydroindol-1-yl)-2-naphthalen-2-yloxybutan-1-one 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

(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-2-yloxybutan-1-one
CID 28636053
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 2661530
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one
CID 38007048
(2R)-1-(4-methylpiperidin-1-yl)-2-naphthalen-2-yloxybutan-1-one
CID 92674448
[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl] 3-aminobenzoate
CID 23888136
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-propanoylphenoxy)propan-1-one
CID 8604781
1-(2,3-dihydroindol-1-yl)-2-(3,4-dimethylphenoxy)propan-1-one
CID 132650039
(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one
CID 92675803
(2S)-2-(4-tert-butylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 26075972
(2R)-2-(4-acetylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7763850
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one
CID 30388193
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,3-dihydroindol-1-yl)-2-naphthalen-2-yloxybutan-1-one?
The IUPAC name of (2R)-1-(2,3-dihydroindol-1-yl)-2-naphthalen-2-yloxybutan-1-one (CID 1225094) is (2R)-1-(2,3-dihydroindol-1-yl)-2-naphthalen-2-yloxybutan-1-one.
What is the SMILES notation for (2R)-1-(2,3-dihydroindol-1-yl)-2-naphthalen-2-yloxybutan-1-one?
The canonical SMILES for (2R)-1-(2,3-dihydroindol-1-yl)-2-naphthalen-2-yloxybutan-1-one is CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCc2ccccc21.
What is the InChIKey of (2R)-1-(2,3-dihydroindol-1-yl)-2-naphthalen-2-yloxybutan-1-one?
The InChIKey is KBWYGSSECXLYSO-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H21NO2/c1-2-21(22(24)23-14-13-17-8-5-6-10-20(17)23)25-19-12-11-16-7-3-4-9-18(16)15-19/h3-12,15,21H,2,13-14H2,1H3/t21-/m1/s1.
What are the key properties of (2R)-1-(2,3-dihydroindol-1-yl)-2-naphthalen-2-yloxybutan-1-one?
(2R)-1-(2,3-dihydroindol-1-yl)-2-naphthalen-2-yloxybutan-1-one has a molecular weight of 331.42 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,3-dihydroindol-1-yl)-2-naphthalen-2-yloxybutan-1-one is sourced from PubChem (CID 1225094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).