N-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide

C23H28N4O3 — CID 92752265

IUPACN-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
SMILESCC[C@H](CN(C)Cc1ccccc1)NC(=O)Cn1c(=O)c(=O)n(C)c2ccccc21
InChIInChI=1S/C23H28N4O3/c1-4-18(15-25(2)14-17-10-6-5-7-11-17)24-21(28)16-27-20-13-9-8-12-19(20)26(3)22(29)23(27)30/h5-13,18H,4,14-16H2,1-3H3,(H,24,28)/t18-/m1/s1
InChIKeyOBEPYEKMHKQJNS-GOSISDBHSA-N
MW408.50 g/mol
LogP1.73
Rot. Bonds8

About N-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide

N-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide (PubChem CID 92752265) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
PubChem CID92752265
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
SMILESCC[C@H](CN(C)Cc1ccccc1)NC(=O)Cn1c(=O)c(=O)n(C)c2ccccc21
InChIInChI=1S/C23H28N4O3/c1-4-18(15-25(2)14-17-10-6-5-7-11-17)24-21(28)16-27-20-13-9-8-12-19(20)26(3)22(29)23(27)30/h5-13,18H,4,14-16H2,1-3H3,(H,24,28)/t18-/m1/s1
InChIKeyOBEPYEKMHKQJNS-GOSISDBHSA-N
XLogP1.73
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-methyl-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46356937
N-butan-2-yl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357080
1-N-benzyl-2-N-ethyl-1-N-methylbutane-1,2-diamine
CID 62038846
N-[3-(diethylamino)propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46356945
2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 53001038
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357037
N-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
CID 92888884
N-[(3-fluorophenyl)methyl]-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide
CID 50815571
N-(3-methylbutyl)-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide
CID 50815586
2-(4-butyl-2,3-dioxoquinoxalin-1-yl)-N-methylacetamide
CID 46786280
N-benzyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide
CID 24603426
2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]butanoic acid
CID 119223469

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide (CID 92752265) is N-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide is CC[C@H](CN(C)Cc1ccccc1)NC(=O)Cn1c(=O)c(=O)n(C)c2ccccc21.
What is the InChIKey of N-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide?
The InChIKey is OBEPYEKMHKQJNS-GOSISDBHSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-4-18(15-25(2)14-17-10-6-5-7-11-17)24-21(28)16-27-20-13-9-8-12-19(20)26(3)22(29)23(27)30/h5-13,18H,4,14-16H2,1-3H3,(H,24,28)/t18-/m1/s1.
What are the key properties of N-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide?
N-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide has a molecular weight of 408.50 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 92752265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).