1-(3-hydroxypropyl)-5-[2-[2-(2-methoxyphenoxy)ethylamino]propyl]indole-7-carboxamide

C24H31N3O4 — CID 127044911

IUPAC1-(3-hydroxypropyl)-5-[2-[2-(2-methoxyphenoxy)ethylamino]propyl]indole-7-carboxamide
SMILESCOc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1
InChIInChI=1S/C24H31N3O4/c1-17(26-9-13-31-22-7-4-3-6-21(22)30-2)14-18-15-19-8-11-27(10-5-12-28)23(19)20(16-18)24(25)29/h3-4,6-8,11,15-17,26,28H,5,9-10,12-14H2,1-2H3,(H2,25,29)
InChIKeySOGVSTQOWIDIQK-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.73
Rot. Bonds12

About 1-(3-hydroxypropyl)-5-[2-[2-(2-methoxyphenoxy)ethylamino]propyl]indole-7-carboxamide

1-(3-hydroxypropyl)-5-[2-[2-(2-methoxyphenoxy)ethylamino]propyl]indole-7-carboxamide (PubChem CID 127044911) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-5-[2-[2-(2-methoxyphenoxy)ethylamino]propyl]indole-7-carboxamide.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-5-[2-[2-(2-methoxyphenoxy)ethylamino]propyl]indole-7-carboxamide
PubChem CID127044911
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name1-(3-hydroxypropyl)-5-[2-[2-(2-methoxyphenoxy)ethylamino]propyl]indole-7-carboxamide
SMILESCOc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1
InChIInChI=1S/C24H31N3O4/c1-17(26-9-13-31-22-7-4-3-6-21(22)30-2)14-18-15-19-8-11-27(10-5-12-28)23(19)20(16-18)24(25)29/h3-4,6-8,11,15-17,26,28H,5,9-10,12-14H2,1-2H3,(H2,25,29)
InChIKeySOGVSTQOWIDIQK-UHFFFAOYSA-N
XLogP2.73
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.73
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-methoxyphenoxy)ethylamino]propyl]indole-7-carboxamide?
The IUPAC name of 1-(3-hydroxypropyl)-5-[2-[2-(2-methoxyphenoxy)ethylamino]propyl]indole-7-carboxamide (CID 127044911) is 1-(3-hydroxypropyl)-5-[2-[2-(2-methoxyphenoxy)ethylamino]propyl]indole-7-carboxamide.
What is the SMILES notation for 1-(3-hydroxypropyl)-5-[2-[2-(2-methoxyphenoxy)ethylamino]propyl]indole-7-carboxamide?
The canonical SMILES for 1-(3-hydroxypropyl)-5-[2-[2-(2-methoxyphenoxy)ethylamino]propyl]indole-7-carboxamide is COc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1.
What is the InChIKey of 1-(3-hydroxypropyl)-5-[2-[2-(2-methoxyphenoxy)ethylamino]propyl]indole-7-carboxamide?
The InChIKey is SOGVSTQOWIDIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-17(26-9-13-31-22-7-4-3-6-21(22)30-2)14-18-15-19-8-11-27(10-5-12-28)23(19)20(16-18)24(25)29/h3-4,6-8,11,15-17,26,28H,5,9-10,12-14H2,1-2H3,(H2,25,29).
What are the key properties of 1-(3-hydroxypropyl)-5-[2-[2-(2-methoxyphenoxy)ethylamino]propyl]indole-7-carboxamide?
1-(3-hydroxypropyl)-5-[2-[2-(2-methoxyphenoxy)ethylamino]propyl]indole-7-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 2.73, 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-methoxyphenoxy)ethylamino]propyl]indole-7-carboxamide is sourced from PubChem (CID 127044911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).