2-[[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide

C24H30N4O2 — CID 27243399

IUPAC2-[[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(N(CCC#N)C(=O)CN(C)CC(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C24H30N4O2/c1-17-12-18(2)14-21(13-17)28(11-7-10-25)23(30)16-27(5)15-22(29)26-24-19(3)8-6-9-20(24)4/h6,8-9,12-14H,7,11,15-16H2,1-5H3,(H,26,29)
InChIKeyZCRMMZASVRPBHR-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.74
Rot. Bonds8

About 2-[[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide

2-[[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 27243399) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-[[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID27243399
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name2-[[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(N(CCC#N)C(=O)CN(C)CC(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C24H30N4O2/c1-17-12-18(2)14-21(13-17)28(11-7-10-25)23(30)16-27(5)15-22(29)26-24-19(3)8-6-9-20(24)4/h6,8-9,12-14H,7,11,15-16H2,1-5H3,(H,26,29)
InChIKeyZCRMMZASVRPBHR-UHFFFAOYSA-N
XLogP3.74
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55354506
2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8622273
2-[[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl]-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 38508585
N-(2,6-dimethylphenyl)-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 8793555
2-bromo-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide
CID 63679867
2-chloro-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide
CID 2393435
N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 24534552
2-[[2-[N-(2-cyanoethyl)-3,4-dimethylanilino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464288
N-(2,6-dimethylphenyl)-2-[(2,5-dimethylphenyl)methyl-methylamino]acetamide
CID 9221850
3-(4-fluoro-N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetyl]anilino)propanamide
CID 34698785
N-(3-acetamidophenyl)-2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 51087127
[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 3-hydroxybenzoate
CID 7789889

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide (CID 27243399) is 2-[[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide is Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)CC(=O)Nc2c(C)cccc2C)c1.
What is the InChIKey of 2-[[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is ZCRMMZASVRPBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-17-12-18(2)14-21(13-17)28(11-7-10-25)23(30)16-27(5)15-22(29)26-24-19(3)8-6-9-20(24)4/h6,8-9,12-14H,7,11,15-16H2,1-5H3,(H,26,29).
What are the key properties of 2-[[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide?
2-[[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 406.53 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 27243399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).