[5-[(4-tert-butylphenoxy)methyl]furan-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone

C25H27NO3 — CID 1224559

IUPAC[5-[(4-tert-butylphenoxy)methyl]furan-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)o1
InChIInChI=1S/C25H27NO3/c1-17-15-18-7-5-6-8-22(18)26(17)24(27)23-14-13-21(29-23)16-28-20-11-9-19(10-12-20)25(2,3)4/h5-14,17H,15-16H2,1-4H3/t17-/m1/s1
InChIKeyNTXFENPVTGZMPE-QGZVFWFLSA-N
MW389.50 g/mol
LogP5.75
Rot. Bonds4

About [5-[(4-tert-butylphenoxy)methyl]furan-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone

[5-[(4-tert-butylphenoxy)methyl]furan-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone (PubChem CID 1224559) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is [5-[(4-tert-butylphenoxy)methyl]furan-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name[5-[(4-tert-butylphenoxy)methyl]furan-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
PubChem CID1224559
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name[5-[(4-tert-butylphenoxy)methyl]furan-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)o1
InChIInChI=1S/C25H27NO3/c1-17-15-18-7-5-6-8-22(18)26(17)24(27)23-14-13-21(29-23)16-28-20-11-9-19(10-12-20)25(2,3)4/h5-14,17H,15-16H2,1-4H3/t17-/m1/s1
InChIKeyNTXFENPVTGZMPE-QGZVFWFLSA-N
XLogP5.75
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [5-[(4-tert-butylphenoxy)methyl]furan-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone 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

[5-[(4-fluorophenoxy)methyl]furan-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 45148366
[5-[(2-fluorophenoxy)methyl]furan-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 51954992
[3-[(4-chlorophenoxy)methyl]phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 1002513
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-methylpropoxy)phenyl]methanone
CID 737594
tert-butyl 4-[5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl]-1,4-diazepane-1-carboxylate
CID 95752526
[4-(benzenesulfonyl)piperazin-1-yl]-[5-[(4-tert-butylphenoxy)methyl]furan-2-yl]methanone
CID 19585294
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-phenylmethoxyanilino)ethanone
CID 2339721
2,3-dihydroindol-1-yl-[5-(phenoxymethyl)furan-2-yl]methanone
CID 17409583
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
5-[(4-tert-butylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide
CID 998142
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-phenylsulfanylethoxy)phenyl]methanone
CID 28578257
2,3-dihydroindol-1-yl-[5-[(4-iodophenoxy)methyl]furan-2-yl]methanone
CID 1017781

Frequently Asked Questions

What is the IUPAC name of [5-[(4-tert-butylphenoxy)methyl]furan-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of [5-[(4-tert-butylphenoxy)methyl]furan-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone (CID 1224559) is [5-[(4-tert-butylphenoxy)methyl]furan-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for [5-[(4-tert-butylphenoxy)methyl]furan-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for [5-[(4-tert-butylphenoxy)methyl]furan-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone is C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)o1.
What is the InChIKey of [5-[(4-tert-butylphenoxy)methyl]furan-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The InChIKey is NTXFENPVTGZMPE-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H27NO3/c1-17-15-18-7-5-6-8-22(18)26(17)24(27)23-14-13-21(29-23)16-28-20-11-9-19(10-12-20)25(2,3)4/h5-14,17H,15-16H2,1-4H3/t17-/m1/s1.
What are the key properties of [5-[(4-tert-butylphenoxy)methyl]furan-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
[5-[(4-tert-butylphenoxy)methyl]furan-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone has a molecular weight of 389.50 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-tert-butylphenoxy)methyl]furan-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 1224559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).