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

C25H35N3O3 — CID 123322716

IUPAC5-[2-[2-(2-ethylphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide
SMILESCCc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2
InChIInChI=1S/C25H35N3O3/c1-3-20-7-4-5-8-23(20)31-14-10-27-18(2)15-19-16-21-9-12-28(11-6-13-29)24(21)22(17-19)25(26)30/h4-5,7-8,16-18,27,29H,3,6,9-15H2,1-2H3,(H2,26,30)
InChIKeyCVTZKWHCHWHUNF-UHFFFAOYSA-N
MW425.57 g/mol
LogP2.69
Rot. Bonds12

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

5-[2-[2-(2-ethylphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide (PubChem CID 123322716) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is 5-[2-[2-(2-ethylphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide.

Molecular Properties

Compound Name5-[2-[2-(2-ethylphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide
PubChem CID123322716
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Name5-[2-[2-(2-ethylphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide
SMILESCCc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2
InChIInChI=1S/C25H35N3O3/c1-3-20-7-4-5-8-23(20)31-14-10-27-18(2)15-19-16-21-9-12-28(11-6-13-29)24(21)22(17-19)25(26)30/h4-5,7-8,16-18,27,29H,3,6,9-15H2,1-2H3,(H2,26,30)
InChIKeyCVTZKWHCHWHUNF-UHFFFAOYSA-N
XLogP2.69
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 52.69
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

5-[2-[2-(4-ethyl-2-methoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide
CID 123576734
5-[2-[2-(2,6-dimethylphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide
CID 123204312
5-[2-[2-[2-(cyclopropylmethoxy)-4-ethylphenoxy]ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide
CID 123963407
1-(3-hydroxypropyl)-N,N-dimethyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindole-7-carboxamide
CID 139672128
1-(3-hydroxypropyl)-5-[(2R)-2-[2-[6-(2,2,2-trifluoroethoxy)cyclohexa-1,5-dien-1-yl]oxyethylamino]propyl]-2,3-dihydroindole-7-carboxamide
CID 135295606
methyl 3-[7-carbamoyl-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindol-1-yl]propanoate
CID 56645783
ethyl 4-[7-(dimethylcarbamoyl)-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindol-1-yl]butanoate
CID 139672097
ethyl 4-[7-(dimethylcarbamoyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindol-1-yl]butanoate
CID 139672113
3-[7-cyano-5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2,3-dihydroindol-1-yl]propyl benzoate
CID 18360864
3-[7-cyano-5-[(2R)-2-[2-(2-hydroxyphenoxy)ethylamino]propyl]-2,3-dihydroindol-1-yl]propyl benzoate
CID 70832900
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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(2-ethylphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide?
The IUPAC name of 5-[2-[2-(2-ethylphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide (CID 123322716) is 5-[2-[2-(2-ethylphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide.
What is the SMILES notation for 5-[2-[2-(2-ethylphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide?
The canonical SMILES for 5-[2-[2-(2-ethylphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide is CCc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2.
What is the InChIKey of 5-[2-[2-(2-ethylphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide?
The InChIKey is CVTZKWHCHWHUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-3-20-7-4-5-8-23(20)31-14-10-27-18(2)15-19-16-21-9-12-28(11-6-13-29)24(21)22(17-19)25(26)30/h4-5,7-8,16-18,27,29H,3,6,9-15H2,1-2H3,(H2,26,30).
What are the key properties of 5-[2-[2-(2-ethylphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide?
5-[2-[2-(2-ethylphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide has a molecular weight of 425.57 g/mol, XLogP of 2.69, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(2-ethylphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide is sourced from PubChem (CID 123322716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).