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

C30H37N3O4 — CID 127045050

IUPAC1-(3-hydroxypropyl)-5-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide
SMILESCC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCc1ccccc1
InChIInChI=1S/C30H37N3O4/c1-22(18-24-19-25-12-15-33(14-7-16-34)29(25)26(20-24)30(31)35)32-13-17-36-27-10-5-6-11-28(27)37-21-23-8-3-2-4-9-23/h2-6,8-11,19-20,22,32,34H,7,12-18,21H2,1H3,(H2,31,35)
InChIKeyREJMTGCSIUAMRO-UHFFFAOYSA-N
MW503.64 g/mol
LogP3.71
Rot. Bonds14

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

1-(3-hydroxypropyl)-5-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide (PubChem CID 127045050) has the molecular formula C30H37N3O4 and a molecular weight of 503.64 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-5-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-5-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide
PubChem CID127045050
Molecular FormulaC30H37N3O4
Molecular Weight503.64 g/mol
Exact Mass503.28
IUPAC Name1-(3-hydroxypropyl)-5-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide
SMILESCC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCc1ccccc1
InChIInChI=1S/C30H37N3O4/c1-22(18-24-19-25-12-15-33(14-7-16-34)29(25)26(20-24)30(31)35)32-13-17-36-27-10-5-6-11-28(27)37-21-23-8-3-2-4-9-23/h2-6,8-11,19-20,22,32,34H,7,12-18,21H2,1H3,(H2,31,35)
InChIKeyREJMTGCSIUAMRO-UHFFFAOYSA-N
XLogP3.71
TPSA97.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.64
LogP ≤ 53.71
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-phenylmethoxyphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide?
The IUPAC name of 1-(3-hydroxypropyl)-5-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide (CID 127045050) is 1-(3-hydroxypropyl)-5-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide.
What is the SMILES notation for 1-(3-hydroxypropyl)-5-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide?
The canonical SMILES for 1-(3-hydroxypropyl)-5-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide is CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCc1ccccc1.
What is the InChIKey of 1-(3-hydroxypropyl)-5-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide?
The InChIKey is REJMTGCSIUAMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O4/c1-22(18-24-19-25-12-15-33(14-7-16-34)29(25)26(20-24)30(31)35)32-13-17-36-27-10-5-6-11-28(27)37-21-23-8-3-2-4-9-23/h2-6,8-11,19-20,22,32,34H,7,12-18,21H2,1H3,(H2,31,35).
What are the key properties of 1-(3-hydroxypropyl)-5-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide?
1-(3-hydroxypropyl)-5-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide has a molecular weight of 503.64 g/mol, XLogP of 3.71, 14 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-phenylmethoxyphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide is sourced from PubChem (CID 127045050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).