N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide

C24H27N3O2 — CID 27807806

IUPACN-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)Cc2c(C)nc3ccccc3c2C)c1C
InChIInChI=1S/C24H27N3O2/c1-15-9-8-12-21(16(15)2)26-23(28)14-27(5)24(29)13-20-17(3)19-10-6-7-11-22(19)25-18(20)4/h6-12H,13-14H2,1-5H3,(H,26,28)
InChIKeyKGESFIGYAIYATL-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.11
Rot. Bonds5

About N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide (PubChem CID 27807806) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide
PubChem CID27807806
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)Cc2c(C)nc3ccccc3c2C)c1C
InChIInChI=1S/C24H27N3O2/c1-15-9-8-12-21(16(15)2)26-23(28)14-27(5)24(29)13-20-17(3)19-10-6-7-11-22(19)25-18(20)4/h6-12H,13-14H2,1-5H3,(H,26,28)
InChIKeyKGESFIGYAIYATL-UHFFFAOYSA-N
XLogP4.11
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 27807926
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 8503634
2-(2,4-dimethylquinolin-3-yl)-N-(2-ethylphenyl)acetamide
CID 8839348
N-(2-bromophenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 31289097
N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 112761999
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
CID 27807987
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
CID 27807901
2-(2,4-dimethylquinolin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 17471505
4-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119268380
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 8503623
3-[2-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenoxy]propanamide
CID 60530589
N-(2,3-dimethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228165

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide?
The IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide (CID 27807806) is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide.
What is the SMILES notation for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide?
The canonical SMILES for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide is Cc1cccc(NC(=O)CN(C)C(=O)Cc2c(C)nc3ccccc3c2C)c1C.
What is the InChIKey of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide?
The InChIKey is KGESFIGYAIYATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-15-9-8-12-21(16(15)2)26-23(28)14-27(5)24(29)13-20-17(3)19-10-6-7-11-22(19)25-18(20)4/h6-12H,13-14H2,1-5H3,(H,26,28).
What are the key properties of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide?
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide has a molecular weight of 389.50 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide is sourced from PubChem (CID 27807806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).