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

C25H33N3O4 — CID 10160408

IUPAC5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide
SMILESCCOc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1
InChIInChI=1S/C25H33N3O4/c1-3-31-22-7-4-5-8-23(22)32-14-10-27-18(2)15-19-16-20-9-12-28(11-6-13-29)24(20)21(17-19)25(26)30/h4-5,7-9,12,16-18,27,29H,3,6,10-11,13-15H2,1-2H3,(H2,26,30)
InChIKeyLPAJCOGMIXSKKG-UHFFFAOYSA-N
MW439.56 g/mol
LogP3.12
Rot. Bonds13

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

5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide (PubChem CID 10160408) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is 5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide.

Molecular Properties

Compound Name5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide
PubChem CID10160408
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC Name5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide
SMILESCCOc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1
InChIInChI=1S/C25H33N3O4/c1-3-31-22-7-4-5-8-23(22)32-14-10-27-18(2)15-19-16-20-9-12-28(11-6-13-29)24(20)21(17-19)25(26)30/h4-5,7-9,12,16-18,27,29H,3,6,10-11,13-15H2,1-2H3,(H2,26,30)
InChIKeyLPAJCOGMIXSKKG-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

FXIa-IN-7
CID 146672980
1-[2-(2-methoxyphenoxy)ethyl]-1H-indole-3-carbaldehyde
CID 675068
1-Methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indole-3-carboxamide
CID 71604853
5-[2-[2-(2-Ethylphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide
CID 123387804
5-[2-[2-(5-Fluoro-2-methoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide
CID 123562321
1-(3-Hydroxypropyl)-5-[2-[2-(2-methoxyphenoxy)ethylamino]propyl]indole-7-carboxamide
CID 127044911
1-(3-Hydroxypropyl)-5-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]indole-7-carboxamide
CID 127044912
1-[2-[3-[(3S)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-ylphenyl]-2-hydroxyethyl]indole-7-carboxylic acid
CID 156020592
1-{1-[2-(2-Methoxy-phenoxy)-ethyl]-1H-indol-3-yl}-propan-1-one
CID 955252
1-[2-(4-methylphenoxy)ethyl]-1H-indole-3-carboxylic acid
CID 16194518
1-[2-(2-methylphenoxy)ethyl]-1H-indole-3-carboxylic acid
CID 16195585
Dihydro Silodosin
CID 9913616

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide?
The IUPAC name of 5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide (CID 10160408) is 5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide.
What is the SMILES notation for 5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide?
The canonical SMILES for 5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide is CCOc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1.
What is the InChIKey of 5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide?
The InChIKey is LPAJCOGMIXSKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-3-31-22-7-4-5-8-23(22)32-14-10-27-18(2)15-19-16-20-9-12-28(11-6-13-29)24(20)21(17-19)25(26)30/h4-5,7-9,12,16-18,27,29H,3,6,10-11,13-15H2,1-2H3,(H2,26,30).
What are the key properties of 5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide?
5-[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 5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide is sourced from PubChem (CID 10160408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).