1-(3-hydroxypropyl)-5-[2-[2-(2,3,6-trimethylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide

C26H37N3O3 — CID 123393714

IUPAC1-(3-hydroxypropyl)-5-[2-[2-(2,3,6-trimethylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide
SMILESCc1ccc(C)c(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c1C
InChIInChI=1S/C26H37N3O3/c1-17-6-7-18(2)25(20(17)4)32-13-9-28-19(3)14-21-15-22-8-11-29(10-5-12-30)24(22)23(16-21)26(27)31/h6-7,15-16,19,28,30H,5,8-14H2,1-4H3,(H2,27,31)
InChIKeyDUOWUNJYYPBDOW-UHFFFAOYSA-N
MW439.60 g/mol
LogP3.06
Rot. Bonds11

About 1-(3-hydroxypropyl)-5-[2-[2-(2,3,6-trimethylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide

1-(3-hydroxypropyl)-5-[2-[2-(2,3,6-trimethylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide (PubChem CID 123393714) has the molecular formula C26H37N3O3 and a molecular weight of 439.60 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-5-[2-[2-(2,3,6-trimethylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-5-[2-[2-(2,3,6-trimethylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide
PubChem CID123393714
Molecular FormulaC26H37N3O3
Molecular Weight439.60 g/mol
Exact Mass439.28
IUPAC Name1-(3-hydroxypropyl)-5-[2-[2-(2,3,6-trimethylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide
SMILESCc1ccc(C)c(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c1C
InChIInChI=1S/C26H37N3O3/c1-17-6-7-18(2)25(20(17)4)32-13-9-28-19(3)14-21-15-22-8-11-29(10-5-12-30)24(22)23(16-21)26(27)31/h6-7,15-16,19,28,30H,5,8-14H2,1-4H3,(H2,27,31)
InChIKeyDUOWUNJYYPBDOW-UHFFFAOYSA-N
XLogP3.06
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3-hydroxypropyl)-5-[2-[2-(2,3,6-trimethylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-5-[2-[2-(2,3,6-trimethylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide?
The IUPAC name of 1-(3-hydroxypropyl)-5-[2-[2-(2,3,6-trimethylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide (CID 123393714) is 1-(3-hydroxypropyl)-5-[2-[2-(2,3,6-trimethylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide.
What is the SMILES notation for 1-(3-hydroxypropyl)-5-[2-[2-(2,3,6-trimethylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide?
The canonical SMILES for 1-(3-hydroxypropyl)-5-[2-[2-(2,3,6-trimethylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide is Cc1ccc(C)c(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c1C.
What is the InChIKey of 1-(3-hydroxypropyl)-5-[2-[2-(2,3,6-trimethylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide?
The InChIKey is DUOWUNJYYPBDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O3/c1-17-6-7-18(2)25(20(17)4)32-13-9-28-19(3)14-21-15-22-8-11-29(10-5-12-30)24(22)23(16-21)26(27)31/h6-7,15-16,19,28,30H,5,8-14H2,1-4H3,(H2,27,31).
What are the key properties of 1-(3-hydroxypropyl)-5-[2-[2-(2,3,6-trimethylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide?
1-(3-hydroxypropyl)-5-[2-[2-(2,3,6-trimethylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide has a molecular weight of 439.60 g/mol, XLogP of 3.06, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-5-[2-[2-(2,3,6-trimethylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide is sourced from PubChem (CID 123393714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).