2-amino-N-[2-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-2-oxoethyl]-N-methylacetamide;toluene

C25H34N4O3 — CID 166467472

IUPAC2-amino-N-[2-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-2-oxoethyl]-N-methylacetamide;toluene
SMILESCOc1ccc2c(c1)c(CCN(C)C)cn2C(=O)CN(C)C(=O)CN.Cc1ccccc1
InChIInChI=1S/C18H26N4O3.C7H8/c1-20(2)8-7-13-11-22(18(24)12-21(3)17(23)10-19)16-6-5-14(25-4)9-15(13)16;1-7-5-3-2-4-6-7/h5-6,9,11H,7-8,10,12,19H2,1-4H3;2-6H,1H3
InChIKeyDNQGUQRUASZAGX-UHFFFAOYSA-N
MW438.57 g/mol
LogP2.81
Rot. Bonds7

About 2-amino-N-[2-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-2-oxoethyl]-N-methylacetamide;toluene

2-amino-N-[2-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-2-oxoethyl]-N-methylacetamide;toluene (PubChem CID 166467472) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is 2-amino-N-[2-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-2-oxoethyl]-N-methylacetamide;toluene.

Molecular Properties

Compound Name2-amino-N-[2-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-2-oxoethyl]-N-methylacetamide;toluene
PubChem CID166467472
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC Name2-amino-N-[2-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-2-oxoethyl]-N-methylacetamide;toluene
SMILESCOc1ccc2c(c1)c(CCN(C)C)cn2C(=O)CN(C)C(=O)CN.Cc1ccccc1
InChIInChI=1S/C18H26N4O3.C7H8/c1-20(2)8-7-13-11-22(18(24)12-21(3)17(23)10-19)16-6-5-14(25-4)9-15(13)16;1-7-5-3-2-4-6-7/h5-6,9,11H,7-8,10,12,19H2,1-4H3;2-6H,1H3
InChIKeyDNQGUQRUASZAGX-UHFFFAOYSA-N
XLogP2.81
TPSA80.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-N-[2-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-2-oxoethyl]-N-methyl-3-phenylpropanamide;dihydrochloride
CID 175913974
bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone
CID 166467355
bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone;formic acid
CID 175913972
2-amino-1-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-3-methylbutan-1-one
CID 166467388
(4Z,7Z,10Z,13Z,16Z,19Z)-1-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]docosa-4,7,10,13,16,19-hexaen-1-one
CID 166138565
2-methoxyethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931038
2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]-N,N-dimethylethanamine
CID 3028951
4-[2-[4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-2-methyl-4-oxobutan-2-yl]-3,5-dimethylphenoxy]-4-oxobutanoic acid
CID 166467598
2-[1-(benzenesulfinyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine
CID 134382314
6-O-tert-butyl 1-O-[[3-[2-(dimethylamino)ethyl]-5-methoxyindole-1-carbonyl]oxymethyl] hexanedioate
CID 166467222
(5Z,8Z,11Z,14Z)-1-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]icosa-5,8,11,14-tetraen-1-one
CID 166138368
2-(dimethylamino)-1-[3-[2-(dimethylamino)ethyl]indol-1-yl]ethanone;hydrochloride
CID 166467543

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-2-oxoethyl]-N-methylacetamide;toluene?
The IUPAC name of 2-amino-N-[2-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-2-oxoethyl]-N-methylacetamide;toluene (CID 166467472) is 2-amino-N-[2-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-2-oxoethyl]-N-methylacetamide;toluene.
What is the SMILES notation for 2-amino-N-[2-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-2-oxoethyl]-N-methylacetamide;toluene?
The canonical SMILES for 2-amino-N-[2-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-2-oxoethyl]-N-methylacetamide;toluene is COc1ccc2c(c1)c(CCN(C)C)cn2C(=O)CN(C)C(=O)CN.Cc1ccccc1.
What is the InChIKey of 2-amino-N-[2-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-2-oxoethyl]-N-methylacetamide;toluene?
The InChIKey is DNQGUQRUASZAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3.C7H8/c1-20(2)8-7-13-11-22(18(24)12-21(3)17(23)10-19)16-6-5-14(25-4)9-15(13)16;1-7-5-3-2-4-6-7/h5-6,9,11H,7-8,10,12,19H2,1-4H3;2-6H,1H3.
What are the key properties of 2-amino-N-[2-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-2-oxoethyl]-N-methylacetamide;toluene?
2-amino-N-[2-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-2-oxoethyl]-N-methylacetamide;toluene has a molecular weight of 438.57 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-2-oxoethyl]-N-methylacetamide;toluene is sourced from PubChem (CID 166467472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).