N-benzyl-N-methyl-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide

C20H21N3O2 — CID 110205815

IUPACN-benzyl-N-methyl-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
SMILESCN(Cc1ccccc1)C(=O)CCc1nc2ccccc2n(C)c1=O
InChIInChI=1S/C20H21N3O2/c1-22(14-15-8-4-3-5-9-15)19(24)13-12-17-20(25)23(2)18-11-7-6-10-16(18)21-17/h3-11H,12-14H2,1-2H3
InChIKeyOVYVMAZPVHPZKO-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.52
Rot. Bonds5

About N-benzyl-N-methyl-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide

N-benzyl-N-methyl-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide (PubChem CID 110205815) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
PubChem CID110205815
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-benzyl-N-methyl-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
SMILESCN(Cc1ccccc1)C(=O)CCc1nc2ccccc2n(C)c1=O
InChIInChI=1S/C20H21N3O2/c1-22(14-15-8-4-3-5-9-15)19(24)13-12-17-20(25)23(2)18-11-7-6-10-16(18)21-17/h3-11H,12-14H2,1-2H3
InChIKeyOVYVMAZPVHPZKO-UHFFFAOYSA-N
XLogP2.52
TPSA55.20 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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanoate
CID 55307216
N-benzyl-N-methyl-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46356937
methyl 2-[3-(4-methyl-3-oxoquinoxalin-2-yl)propanoylamino]acetate
CID 71704250
N-benzyl-N-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 16996582
N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979045
N-benzyl-N-methyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16987485
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-propan-2-yloxypropanamide
CID 56787204
2-[2-[5-[benzyl(methyl)amino]-5-oxopentyl]sulfanylbenzimidazol-1-yl]acetic acid
CID 69319311
3-(4-butyl-3-oxoquinoxalin-2-yl)propanoic acid
CID 2432558
N-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide
CID 109020407
N-benzyl-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-methylacetamide
CID 47044774
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
CID 71692027

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide?
The IUPAC name of N-benzyl-N-methyl-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide (CID 110205815) is N-benzyl-N-methyl-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide.
What is the SMILES notation for N-benzyl-N-methyl-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide?
The canonical SMILES for N-benzyl-N-methyl-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide is CN(Cc1ccccc1)C(=O)CCc1nc2ccccc2n(C)c1=O.
What is the InChIKey of N-benzyl-N-methyl-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide?
The InChIKey is OVYVMAZPVHPZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-22(14-15-8-4-3-5-9-15)19(24)13-12-17-20(25)23(2)18-11-7-6-10-16(18)21-17/h3-11H,12-14H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide?
N-benzyl-N-methyl-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide has a molecular weight of 335.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide is sourced from PubChem (CID 110205815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).