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

C25H33N3O4 — CID 141012204

IUPAC2-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide
SMILESCCOc1ccccc1OCCNC(C)Cc1cc2cccc(C(N)=O)c2n1CCCO
InChIInChI=1S/C25H33N3O4/c1-3-31-22-10-4-5-11-23(22)32-15-12-27-18(2)16-20-17-19-8-6-9-21(25(26)30)24(19)28(20)13-7-14-29/h4-6,8-11,17-18,27,29H,3,7,12-16H2,1-2H3,(H2,26,30)
InChIKeyDCNLFSRKPWCXTP-UHFFFAOYSA-N
MW439.56 g/mol
LogP3.12
Rot. Bonds13

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

2-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide (PubChem CID 141012204) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide.

Molecular Properties

Compound Name2-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide
PubChem CID141012204
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC Name2-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide
SMILESCCOc1ccccc1OCCNC(C)Cc1cc2cccc(C(N)=O)c2n1CCCO
InChIInChI=1S/C25H33N3O4/c1-3-31-22-10-4-5-11-23(22)32-15-12-27-18(2)16-20-17-19-8-6-9-21(25(26)30)24(19)28(20)13-7-14-29/h4-6,8-11,17-18,27,29H,3,7,12-16H2,1-2H3,(H2,26,30)
InChIKeyDCNLFSRKPWCXTP-UHFFFAOYSA-N
XLogP3.12
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.12
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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Related Compounds

1-(3-hydroxypropyl)-2-methyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]indole-7-carboxamide
CID 123248778
5-[(2R)-2-[2-[2-(cyclopropylmethoxy)-4-fluorophenoxy]ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide
CID 86343237
5-[(2R)-2-[2-[4-fluoro-2-[(2-methylpropan-2-yl)oxy]phenoxy]ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide
CID 86343240
5-[(2R)-2-[2-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-1-(4-hydroxybutyl)indole-7-carboxamide
CID 86344543
5-[2-[2-(2-ethylphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide
CID 123322716
5-[2-[2-[4-chloro-2-[(2-methylpropan-2-yl)oxy]phenoxy]ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide
CID 123289340
1-(3-hydroxypropyl)-N,N-dimethyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]indole-7-carboxamide
CID 139672139
5-[2-[2-(4-bromo-2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2-methyl-2,3-dihydroindole-7-carboxamide
CID 123733206
5-[2-[2-(4-chloro-2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2-methyl-2,3-dihydroindole-7-carboxamide
CID 123631829
3-[7-carbamoyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]indol-1-yl]propyl 2,2-dimethylbutanoate
CID 18360869
5-[(2R)-2-[2-[2-(cyclopropylmethoxy)-4-prop-2-enylphenoxy]ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide
CID 86344540
3-[7-[amino(hydroxy)methyl]-5-[2-[2-(2-cyclopropyloxy-4-fluorophenoxy)ethylamino]propyl]indol-1-yl]propan-1-ol
CID 123161319

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide?
The IUPAC name of 2-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide (CID 141012204) is 2-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide.
What is the SMILES notation for 2-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide?
The canonical SMILES for 2-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide is CCOc1ccccc1OCCNC(C)Cc1cc2cccc(C(N)=O)c2n1CCCO.
What is the InChIKey of 2-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide?
The InChIKey is DCNLFSRKPWCXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-3-31-22-10-4-5-11-23(22)32-15-12-27-18(2)16-20-17-19-8-6-9-21(25(26)30)24(19)28(20)13-7-14-29/h4-6,8-11,17-18,27,29H,3,7,12-16H2,1-2H3,(H2,26,30).
What are the key properties of 2-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide?
2-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 3.12, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide is sourced from PubChem (CID 141012204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).