2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide

C24H31N7O3 — CID 24561000

IUPAC2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(C)C(C)c2nc(N)nc(Nc3ccccc3)n2)cc1OCC
InChIInChI=1S/C24H31N7O3/c1-5-33-19-13-12-18(14-20(19)34-6-2)26-21(32)15-31(4)16(3)22-28-23(25)30-24(29-22)27-17-10-8-7-9-11-17/h7-14,16H,5-6,15H2,1-4H3,(H,26,32)(H3,25,27,28,29,30)
InChIKeyMNVLXENKFIQHKO-UHFFFAOYSA-N
MW465.56 g/mol
LogP3.63
Rot. Bonds11

About 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide

2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide (PubChem CID 24561000) has the molecular formula C24H31N7O3 and a molecular weight of 465.56 g/mol. Its IUPAC name is 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide
PubChem CID24561000
Molecular FormulaC24H31N7O3
Molecular Weight465.56 g/mol
Exact Mass465.25
IUPAC Name2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(C)C(C)c2nc(N)nc(Nc3ccccc3)n2)cc1OCC
InChIInChI=1S/C24H31N7O3/c1-5-33-19-13-12-18(14-20(19)34-6-2)26-21(32)15-31(4)16(3)22-28-23(25)30-24(29-22)27-17-10-8-7-9-11-17/h7-14,16H,5-6,15H2,1-4H3,(H,26,32)(H3,25,27,28,29,30)
InChIKeyMNVLXENKFIQHKO-UHFFFAOYSA-N
XLogP3.63
TPSA127.52 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

(2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 2658568
2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119912469
N-(3,4-diethoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 7910523
N-(3-bromophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 24506793
(2S)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
CID 9223025
N-(2-cyanophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 46801790
2-bromo-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 2475779
N-(3,4-diethoxyphenyl)-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658514
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 7778835
N-(3,4-diethoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide
CID 31779571
N-(3,4-diethoxyphenyl)-2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 46801791
N-(3,4-diethoxyphenyl)-2-[[(2S)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide
CID 11937853

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide?
The IUPAC name of 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide (CID 24561000) is 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN(C)C(C)c2nc(N)nc(Nc3ccccc3)n2)cc1OCC.
What is the InChIKey of 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide?
The InChIKey is MNVLXENKFIQHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O3/c1-5-33-19-13-12-18(14-20(19)34-6-2)26-21(32)15-31(4)16(3)22-28-23(25)30-24(29-22)27-17-10-8-7-9-11-17/h7-14,16H,5-6,15H2,1-4H3,(H,26,32)(H3,25,27,28,29,30).
What are the key properties of 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide?
2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide has a molecular weight of 465.56 g/mol, XLogP of 3.63, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide is sourced from PubChem (CID 24561000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).