3-methyl-N-[2-[methyl(quinolin-3-yl)amino]-2-oxoethyl]benzamide

C20H19N3O2 — CID 167956505

IUPAC3-methyl-N-[2-[methyl(quinolin-3-yl)amino]-2-oxoethyl]benzamide
SMILESCc1cccc(C(=O)NCC(=O)N(C)c2cnc3ccccc3c2)c1
InChIInChI=1S/C20H19N3O2/c1-14-6-5-8-16(10-14)20(25)22-13-19(24)23(2)17-11-15-7-3-4-9-18(15)21-12-17/h3-12H,13H2,1-2H3,(H,22,25)
InChIKeyXJYVWJKFVYFYDG-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.94
Rot. Bonds4

About 3-methyl-N-[2-[methyl(quinolin-3-yl)amino]-2-oxoethyl]benzamide

3-methyl-N-[2-[methyl(quinolin-3-yl)amino]-2-oxoethyl]benzamide (PubChem CID 167956505) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-methyl-N-[2-[methyl(quinolin-3-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-[methyl(quinolin-3-yl)amino]-2-oxoethyl]benzamide
PubChem CID167956505
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name3-methyl-N-[2-[methyl(quinolin-3-yl)amino]-2-oxoethyl]benzamide
SMILESCc1cccc(C(=O)NCC(=O)N(C)c2cnc3ccccc3c2)c1
InChIInChI=1S/C20H19N3O2/c1-14-6-5-8-16(10-14)20(25)22-13-19(24)23(2)17-11-15-7-3-4-9-18(15)21-12-17/h3-12H,13H2,1-2H3,(H,22,25)
InChIKeyXJYVWJKFVYFYDG-UHFFFAOYSA-N
XLogP2.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-methylanilino)-2-oxoethyl]benzamide
CID 12674158
(2-chloroquinolin-3-yl)methyl 2-[(3-methylbenzoyl)amino]acetate
CID 40762897
N-[2-[2-hydroxypropyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide
CID 62334553
3-methyl-N-phenacylbenzamide
CID 3417494
3-methyl-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977708
2-(3-methylphenyl)-N-(quinolin-3-ylmethyl)acetamide
CID 110733803
N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide
CID 107202831
4-[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 43359941
N-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbenzamide
CID 43572908
2,3-dimethyl-N-(quinolin-3-ylmethyl)quinoxaline-6-carboxamide
CID 110745511
3-methyl-N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 9416961
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[methyl(quinolin-3-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-[methyl(quinolin-3-yl)amino]-2-oxoethyl]benzamide (CID 167956505) is 3-methyl-N-[2-[methyl(quinolin-3-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-[methyl(quinolin-3-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-[methyl(quinolin-3-yl)amino]-2-oxoethyl]benzamide is Cc1cccc(C(=O)NCC(=O)N(C)c2cnc3ccccc3c2)c1.
What is the InChIKey of 3-methyl-N-[2-[methyl(quinolin-3-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is XJYVWJKFVYFYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-6-5-8-16(10-14)20(25)22-13-19(24)23(2)17-11-15-7-3-4-9-18(15)21-12-17/h3-12H,13H2,1-2H3,(H,22,25).
What are the key properties of 3-methyl-N-[2-[methyl(quinolin-3-yl)amino]-2-oxoethyl]benzamide?
3-methyl-N-[2-[methyl(quinolin-3-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 333.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[methyl(quinolin-3-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 167956505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).