N-methyl-4-propan-2-yloxy-N-(quinoxalin-2-ylmethyl)benzamide

C20H21N3O2 — CID 90647316

IUPACN-methyl-4-propan-2-yloxy-N-(quinoxalin-2-ylmethyl)benzamide
SMILESCC(C)Oc1ccc(C(=O)N(C)Cc2cnc3ccccc3n2)cc1
InChIInChI=1S/C20H21N3O2/c1-14(2)25-17-10-8-15(9-11-17)20(24)23(3)13-16-12-21-18-6-4-5-7-19(18)22-16/h4-12,14H,13H2,1-3H3
InChIKeyALCUVMUEXJRQPP-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.69
Rot. Bonds5

About N-methyl-4-propan-2-yloxy-N-(quinoxalin-2-ylmethyl)benzamide

N-methyl-4-propan-2-yloxy-N-(quinoxalin-2-ylmethyl)benzamide (PubChem CID 90647316) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-methyl-4-propan-2-yloxy-N-(quinoxalin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-4-propan-2-yloxy-N-(quinoxalin-2-ylmethyl)benzamide
PubChem CID90647316
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-methyl-4-propan-2-yloxy-N-(quinoxalin-2-ylmethyl)benzamide
SMILESCC(C)Oc1ccc(C(=O)N(C)Cc2cnc3ccccc3n2)cc1
InChIInChI=1S/C20H21N3O2/c1-14(2)25-17-10-8-15(9-11-17)20(24)23(3)13-16-12-21-18-6-4-5-7-19(18)22-16/h4-12,14H,13H2,1-3H3
InChIKeyALCUVMUEXJRQPP-UHFFFAOYSA-N
XLogP3.69
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-4-propan-2-yloxy-N-(quinoxalin-2-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-N-methyl-N-(quinoxalin-2-ylmethyl)pyrimidine-5-carboxamide
CID 72878914
3-(2,3-dimethylbutan-2-yl)-1-methyl-1-(quinoxalin-2-ylmethyl)urea
CID 131903776
N,N-dimethyl-2-[methyl(quinoxalin-2-ylmethyl)amino]acetamide
CID 167805171
N-methyl-4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)benzamide
CID 110762446
N-methyl-3-piperidin-3-yl-N-(quinoxalin-2-ylmethyl)benzamide
CID 72891203
N-methyl-2-(2-oxochromen-7-yl)oxy-N-(quinoxalin-2-ylmethyl)acetamide
CID 171387743
N-methyl-5-(oxolan-2-yl)-N-(quinoxalin-2-ylmethyl)thiophene-2-carboxamide
CID 72890369
N-(5-bromopentyl)-N-methyl-4-propan-2-yloxybenzamide
CID 107206141
(2R)-N-propyl-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086696
7-fluoro-N,3-dimethyl-N-(quinoxalin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 70715090
3,5-dimethoxy-N-methyl-N-(quinolin-3-ylmethyl)benzamide
CID 110733874
N,5-dimethyl-N-(quinoxalin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 77090443

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propan-2-yloxy-N-(quinoxalin-2-ylmethyl)benzamide?
The IUPAC name of N-methyl-4-propan-2-yloxy-N-(quinoxalin-2-ylmethyl)benzamide (CID 90647316) is N-methyl-4-propan-2-yloxy-N-(quinoxalin-2-ylmethyl)benzamide.
What is the SMILES notation for N-methyl-4-propan-2-yloxy-N-(quinoxalin-2-ylmethyl)benzamide?
The canonical SMILES for N-methyl-4-propan-2-yloxy-N-(quinoxalin-2-ylmethyl)benzamide is CC(C)Oc1ccc(C(=O)N(C)Cc2cnc3ccccc3n2)cc1.
What is the InChIKey of N-methyl-4-propan-2-yloxy-N-(quinoxalin-2-ylmethyl)benzamide?
The InChIKey is ALCUVMUEXJRQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14(2)25-17-10-8-15(9-11-17)20(24)23(3)13-16-12-21-18-6-4-5-7-19(18)22-16/h4-12,14H,13H2,1-3H3.
What are the key properties of N-methyl-4-propan-2-yloxy-N-(quinoxalin-2-ylmethyl)benzamide?
N-methyl-4-propan-2-yloxy-N-(quinoxalin-2-ylmethyl)benzamide has a molecular weight of 335.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propan-2-yloxy-N-(quinoxalin-2-ylmethyl)benzamide is sourced from PubChem (CID 90647316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).