5-ethyl-N-methyl-1-benzofuran-2-carboxamide;N-ethyl-N-propylpropan-1-amine;propane;3-propyl-1H-indole-5-carbonitrile

C35H52N4O2 — CID 145137507

IUPAC5-ethyl-N-methyl-1-benzofuran-2-carboxamide;N-ethyl-N-propylpropan-1-amine;propane;3-propyl-1H-indole-5-carbonitrile
SMILESCCC.CCCN(CC)CCC.CCCc1c[nH]c2ccc(C#N)cc12.CCc1ccc2oc(C(=O)NC)cc2c1
InChIInChI=1S/C12H12N2.C12H13NO2.C8H19N.C3H8/c1-2-3-10-8-14-12-5-4-9(7-13)6-11(10)12;1-3-8-4-5-10-9(6-8)7-11(15-10)12(14)13-2;1-4-7-9(6-3)8-5-2;1-3-2/h4-6,8,14H,2-3H2,1H3;4-7H,3H2,1-2H3,(H,13,14);4-8H2,1-3H3;3H2,1-2H3
InChIKeyGWYHUMIDONDWHA-UHFFFAOYSA-N
MW560.83 g/mol
LogP8.89
Rot. Bonds9

About 5-ethyl-N-methyl-1-benzofuran-2-carboxamide;N-ethyl-N-propylpropan-1-amine;propane;3-propyl-1H-indole-5-carbonitrile

5-ethyl-N-methyl-1-benzofuran-2-carboxamide;N-ethyl-N-propylpropan-1-amine;propane;3-propyl-1H-indole-5-carbonitrile (PubChem CID 145137507) has the molecular formula C35H52N4O2 and a molecular weight of 560.83 g/mol. Its IUPAC name is 5-ethyl-N-methyl-1-benzofuran-2-carboxamide;N-ethyl-N-propylpropan-1-amine;propane;3-propyl-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name5-ethyl-N-methyl-1-benzofuran-2-carboxamide;N-ethyl-N-propylpropan-1-amine;propane;3-propyl-1H-indole-5-carbonitrile
PubChem CID145137507
Molecular FormulaC35H52N4O2
Molecular Weight560.83 g/mol
Exact Mass560.41
IUPAC Name5-ethyl-N-methyl-1-benzofuran-2-carboxamide;N-ethyl-N-propylpropan-1-amine;propane;3-propyl-1H-indole-5-carbonitrile
SMILESCCC.CCCN(CC)CCC.CCCc1c[nH]c2ccc(C#N)cc12.CCc1ccc2oc(C(=O)NC)cc2c1
InChIInChI=1S/C12H12N2.C12H13NO2.C8H19N.C3H8/c1-2-3-10-8-14-12-5-4-9(7-13)6-11(10)12;1-3-8-4-5-10-9(6-8)7-11(15-10)12(14)13-2;1-4-7-9(6-3)8-5-2;1-3-2/h4-6,8,14H,2-3H2,1H3;4-7H,3H2,1-2H3,(H,13,14);4-8H2,1-3H3;3H2,1-2H3
InChIKeyGWYHUMIDONDWHA-UHFFFAOYSA-N
XLogP8.89
TPSA85.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.83
LogP ≤ 58.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

N-carbamoyl-5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-propyl-1-benzofuran-2-carboxamide
CID 141411660
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]-1-benzofuran-2-carboxamide
CID 69419133
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide
CID 10163876
5-[4-[2-(5-cyano-1H-indol-3-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 58656079
N-(2-amino-3-methylbutanoyl)-5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 71092304
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 69419961
5-[[2-[5-(5-cyano-1H-indol-3-yl)pentylamino]acetyl]amino]-1-benzofuran-2-carboxamide
CID 69143814
5-[3-[4-(5-cyano-1H-indol-3-yl)butylamino]propanoylamino]-1-benzofuran-2-carboxylic acid
CID 69144819
ethane;methane;3-pentyl-1H-indole-5-carbonitrile
CID 142891343
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;sulfuric acid
CID 73389306
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 69419842
ethyl 5-[[2-[4-(5-cyano-1H-indol-3-yl)butyl-methylamino]acetyl]amino]-1-benzofuran-2-carboxylate;ethyl 5-[[(2S)-2-[3-(5-cyano-1H-indol-3-yl)propylamino]propanoyl]amino]-1-benzofuran-2-carboxylate
CID 159539072

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-1-benzofuran-2-carboxamide;N-ethyl-N-propylpropan-1-amine;propane;3-propyl-1H-indole-5-carbonitrile?
The IUPAC name of 5-ethyl-N-methyl-1-benzofuran-2-carboxamide;N-ethyl-N-propylpropan-1-amine;propane;3-propyl-1H-indole-5-carbonitrile (CID 145137507) is 5-ethyl-N-methyl-1-benzofuran-2-carboxamide;N-ethyl-N-propylpropan-1-amine;propane;3-propyl-1H-indole-5-carbonitrile.
What is the SMILES notation for 5-ethyl-N-methyl-1-benzofuran-2-carboxamide;N-ethyl-N-propylpropan-1-amine;propane;3-propyl-1H-indole-5-carbonitrile?
The canonical SMILES for 5-ethyl-N-methyl-1-benzofuran-2-carboxamide;N-ethyl-N-propylpropan-1-amine;propane;3-propyl-1H-indole-5-carbonitrile is CCC.CCCN(CC)CCC.CCCc1c[nH]c2ccc(C#N)cc12.CCc1ccc2oc(C(=O)NC)cc2c1.
What is the InChIKey of 5-ethyl-N-methyl-1-benzofuran-2-carboxamide;N-ethyl-N-propylpropan-1-amine;propane;3-propyl-1H-indole-5-carbonitrile?
The InChIKey is GWYHUMIDONDWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.C12H13NO2.C8H19N.C3H8/c1-2-3-10-8-14-12-5-4-9(7-13)6-11(10)12;1-3-8-4-5-10-9(6-8)7-11(15-10)12(14)13-2;1-4-7-9(6-3)8-5-2;1-3-2/h4-6,8,14H,2-3H2,1H3;4-7H,3H2,1-2H3,(H,13,14);4-8H2,1-3H3;3H2,1-2H3.
What are the key properties of 5-ethyl-N-methyl-1-benzofuran-2-carboxamide;N-ethyl-N-propylpropan-1-amine;propane;3-propyl-1H-indole-5-carbonitrile?
5-ethyl-N-methyl-1-benzofuran-2-carboxamide;N-ethyl-N-propylpropan-1-amine;propane;3-propyl-1H-indole-5-carbonitrile has a molecular weight of 560.83 g/mol, XLogP of 8.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-1-benzofuran-2-carboxamide;N-ethyl-N-propylpropan-1-amine;propane;3-propyl-1H-indole-5-carbonitrile is sourced from PubChem (CID 145137507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).