1-(3-hydroxypropyl)-5-[2-[2-(2-methoxy-4-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide

C25H35N3O4 — CID 123183788

IUPAC1-(3-hydroxypropyl)-5-[2-[2-(2-methoxy-4-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide
SMILESCOc1cc(C)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2
InChIInChI=1S/C25H35N3O4/c1-17-5-6-22(23(13-17)31-3)32-12-8-27-18(2)14-19-15-20-7-10-28(9-4-11-29)24(20)21(16-19)25(26)30/h5-6,13,15-16,18,27,29H,4,7-12,14H2,1-3H3,(H2,26,30)
InChIKeyDZYBJTLUOQNDRI-UHFFFAOYSA-N
MW441.57 g/mol
LogP2.45
Rot. Bonds12

About 1-(3-hydroxypropyl)-5-[2-[2-(2-methoxy-4-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide

1-(3-hydroxypropyl)-5-[2-[2-(2-methoxy-4-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide (PubChem CID 123183788) has the molecular formula C25H35N3O4 and a molecular weight of 441.57 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-5-[2-[2-(2-methoxy-4-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-5-[2-[2-(2-methoxy-4-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide
PubChem CID123183788
Molecular FormulaC25H35N3O4
Molecular Weight441.57 g/mol
Exact Mass441.26
IUPAC Name1-(3-hydroxypropyl)-5-[2-[2-(2-methoxy-4-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide
SMILESCOc1cc(C)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2
InChIInChI=1S/C25H35N3O4/c1-17-5-6-22(23(13-17)31-3)32-12-8-27-18(2)14-19-15-20-7-10-28(9-4-11-29)24(20)21(16-19)25(26)30/h5-6,13,15-16,18,27,29H,4,7-12,14H2,1-3H3,(H2,26,30)
InChIKeyDZYBJTLUOQNDRI-UHFFFAOYSA-N
XLogP2.45
TPSA97.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 1-(3-hydroxypropyl)-5-[2-[2-(2-methoxy-4-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide?
The IUPAC name of 1-(3-hydroxypropyl)-5-[2-[2-(2-methoxy-4-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide (CID 123183788) is 1-(3-hydroxypropyl)-5-[2-[2-(2-methoxy-4-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide.
What is the SMILES notation for 1-(3-hydroxypropyl)-5-[2-[2-(2-methoxy-4-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide?
The canonical SMILES for 1-(3-hydroxypropyl)-5-[2-[2-(2-methoxy-4-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide is COc1cc(C)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2.
What is the InChIKey of 1-(3-hydroxypropyl)-5-[2-[2-(2-methoxy-4-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide?
The InChIKey is DZYBJTLUOQNDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O4/c1-17-5-6-22(23(13-17)31-3)32-12-8-27-18(2)14-19-15-20-7-10-28(9-4-11-29)24(20)21(16-19)25(26)30/h5-6,13,15-16,18,27,29H,4,7-12,14H2,1-3H3,(H2,26,30).
What are the key properties of 1-(3-hydroxypropyl)-5-[2-[2-(2-methoxy-4-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide?
1-(3-hydroxypropyl)-5-[2-[2-(2-methoxy-4-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide has a molecular weight of 441.57 g/mol, XLogP of 2.45, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-5-[2-[2-(2-methoxy-4-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide is sourced from PubChem (CID 123183788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).