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

C24H33N3O3 — CID 127044893

IUPAC1-(3-hydroxypropyl)-5-[2-[2-(2-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide
SMILESCc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2
InChIInChI=1S/C24H33N3O3/c1-17-6-3-4-7-22(17)30-13-9-26-18(2)14-19-15-20-8-11-27(10-5-12-28)23(20)21(16-19)24(25)29/h3-4,6-7,15-16,18,26,28H,5,8-14H2,1-2H3,(H2,25,29)
InChIKeyRHOLYPCFUBNRPR-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.44
Rot. Bonds11

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

1-(3-hydroxypropyl)-5-[2-[2-(2-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide (PubChem CID 127044893) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-5-[2-[2-(2-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-5-[2-[2-(2-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide
PubChem CID127044893
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name1-(3-hydroxypropyl)-5-[2-[2-(2-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide
SMILESCc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2
InChIInChI=1S/C24H33N3O3/c1-17-6-3-4-7-22(17)30-13-9-26-18(2)14-19-15-20-8-11-27(10-5-12-28)23(20)21(16-19)24(25)29/h3-4,6-7,15-16,18,26,28H,5,8-14H2,1-2H3,(H2,25,29)
InChIKeyRHOLYPCFUBNRPR-UHFFFAOYSA-N
XLogP2.44
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Silodosin
CID 5312125
5-[2-[2-[5-Bromo-2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide
CID 123667086
5-[2-[2-(5-Fluoro-2-methoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide
CID 124018870
5-Methyl-1-[2-(4-methylphenoxy)ethyl]indole-2,3-dione
CID 2145489
7-Methyl-1-(2-phenoxyethyl)indole-2,3-dione
CID 2145491
7-Methyl-1-(2-(p-tolyloxy)ethyl)indoline-2,3-dione
CID 2145492
5-Methyl-1-(3-phenoxypropyl)benzo[d]azolidine-2,3-dione
CID 3157307
(S)-Silodosin
CID 656628
1-(3-Hydroxypropyl)-5-(2-((2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethyl)amino)propyl)-2,3-dihydro-1H-indole-7-carboxamide
CID 9891967
1-(3-Hydroxypropyl)-5-[(R)-2-[2-[2-(2,2,2-trifluoroethoxy)-5-chlorophenoxy]ethylamino]propyl]indoline-7-carboxamide
CID 117839022
5-[2-[2-(4-Fluoro-2-methoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide
CID 123183757
1-(3-Hydroxypropyl)-5-[2-[2-(2-methoxy-4-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide
CID 123183788

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-5-[2-[2-(2-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide?
The IUPAC name of 1-(3-hydroxypropyl)-5-[2-[2-(2-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide (CID 127044893) is 1-(3-hydroxypropyl)-5-[2-[2-(2-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide.
What is the SMILES notation for 1-(3-hydroxypropyl)-5-[2-[2-(2-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide?
The canonical SMILES for 1-(3-hydroxypropyl)-5-[2-[2-(2-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide is Cc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2.
What is the InChIKey of 1-(3-hydroxypropyl)-5-[2-[2-(2-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide?
The InChIKey is RHOLYPCFUBNRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-17-6-3-4-7-22(17)30-13-9-26-18(2)14-19-15-20-8-11-27(10-5-12-28)23(20)21(16-19)24(25)29/h3-4,6-7,15-16,18,26,28H,5,8-14H2,1-2H3,(H2,25,29).
What are the key properties of 1-(3-hydroxypropyl)-5-[2-[2-(2-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide?
1-(3-hydroxypropyl)-5-[2-[2-(2-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 2.44, 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-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide is sourced from PubChem (CID 127044893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).