[3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone

C26H28N2O3 — CID 162672727

IUPAC[3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
SMILESCOCCNCc1ccc(C(=O)N2CCc3c(-c4ccccc4)cccc32)cc1OC
InChIInChI=1S/C26H28N2O3/c1-30-16-14-27-18-21-12-11-20(17-25(21)31-2)26(29)28-15-13-23-22(9-6-10-24(23)28)19-7-4-3-5-8-19/h3-12,17,27H,13-16,18H2,1-2H3
InChIKeyBBKKOVQCVWZQNN-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.30
Rot. Bonds8

About [3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone

[3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 162672727) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is [3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
PubChem CID162672727
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name[3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
SMILESCOCCNCc1ccc(C(=O)N2CCc3c(-c4ccccc4)cccc32)cc1OC
InChIInChI=1S/C26H28N2O3/c1-30-16-14-27-18-21-12-11-20(17-25(21)31-2)26(29)28-15-13-23-22(9-6-10-24(23)28)19-7-4-3-5-8-19/h3-12,17,27H,13-16,18H2,1-2H3
InChIKeyBBKKOVQCVWZQNN-UHFFFAOYSA-N
XLogP4.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone (CID 162672727) is [3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone is COCCNCc1ccc(C(=O)N2CCc3c(-c4ccccc4)cccc32)cc1OC.
What is the InChIKey of [3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is BBKKOVQCVWZQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-30-16-14-27-18-21-12-11-20(17-25(21)31-2)26(29)28-15-13-23-22(9-6-10-24(23)28)19-7-4-3-5-8-19/h3-12,17,27H,13-16,18H2,1-2H3.
What are the key properties of [3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
[3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 416.52 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 162672727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).