N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide

C30H31N3O2 — CID 112761999

IUPACN-methyl-2-(2-methyl-4-phenylquinolin-3-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)c(C)c1
InChIInChI=1S/C30H31N3O2/c1-19-15-20(2)30(21(3)16-19)32-27(34)18-33(5)28(35)17-25-22(4)31-26-14-10-9-13-24(26)29(25)23-11-7-6-8-12-23/h6-16H,17-18H2,1-5H3,(H,32,34)
InChIKeyVAXMVFBWNDLVIM-UHFFFAOYSA-N
MW465.60 g/mol
LogP5.78
Rot. Bonds6

About N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide

N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide (PubChem CID 112761999) has the molecular formula C30H31N3O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-4-phenylquinolin-3-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
PubChem CID112761999
Molecular FormulaC30H31N3O2
Molecular Weight465.60 g/mol
Exact Mass465.24
IUPAC NameN-methyl-2-(2-methyl-4-phenylquinolin-3-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)c(C)c1
InChIInChI=1S/C30H31N3O2/c1-19-15-20(2)30(21(3)16-19)32-27(34)18-33(5)28(35)17-25-22(4)31-26-14-10-9-13-24(26)29(25)23-11-7-6-8-12-23/h6-16H,17-18H2,1-5H3,(H,32,34)
InChIKeyVAXMVFBWNDLVIM-UHFFFAOYSA-N
XLogP5.78
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide with MolForge

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Related Compounds

N-methyl-2-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 8752580
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide
CID 27807806
N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 26714971
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 112790465
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 56540702
3-(1,3-benzothiazol-2-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 40715061
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 26788092
2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 7478627
N-(2-ethoxyphenyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 112790890
methylamino 2-(2-methyl-4-phenylquinolin-3-yl)acetate
CID 146289922
4-chloro-N,N-dimethyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]benzamide
CID 112822286
N-(1-hydroxypropan-2-yl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 110887326

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The IUPAC name of N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide (CID 112761999) is N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide.
What is the SMILES notation for N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The canonical SMILES for N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide is Cc1cc(C)c(NC(=O)CN(C)C(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)c(C)c1.
What is the InChIKey of N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The InChIKey is VAXMVFBWNDLVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O2/c1-19-15-20(2)30(21(3)16-19)32-27(34)18-33(5)28(35)17-25-22(4)31-26-14-10-9-13-24(26)29(25)23-11-7-6-8-12-23/h6-16H,17-18H2,1-5H3,(H,32,34).
What are the key properties of N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide has a molecular weight of 465.60 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide is sourced from PubChem (CID 112761999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).