N-[(2S)-butan-2-yl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide

C21H23N3O2 — CID 92869667

IUPACN-[(2S)-butan-2-yl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
SMILESCC[C@H](C)NC(=O)c1ccc(Cn2c(=O)c(C)nc3ccccc32)cc1
InChIInChI=1S/C21H23N3O2/c1-4-14(2)22-20(25)17-11-9-16(10-12-17)13-24-19-8-6-5-7-18(19)23-15(3)21(24)26/h5-12,14H,4,13H2,1-3H3,(H,22,25)/t14-/m0/s1
InChIKeyRJXDPQLPHIPIQH-AWEZNQCLSA-N
MW349.43 g/mol
LogP3.28
Rot. Bonds5

About N-[(2S)-butan-2-yl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide

N-[(2S)-butan-2-yl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide (PubChem CID 92869667) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
PubChem CID92869667
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[(2S)-butan-2-yl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
SMILESCC[C@H](C)NC(=O)c1ccc(Cn2c(=O)c(C)nc3ccccc32)cc1
InChIInChI=1S/C21H23N3O2/c1-4-14(2)22-20(25)17-11-9-16(10-12-17)13-24-19-8-6-5-7-18(19)23-15(3)21(24)26/h5-12,14H,4,13H2,1-3H3,(H,22,25)/t14-/m0/s1
InChIKeyRJXDPQLPHIPIQH-AWEZNQCLSA-N
XLogP3.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-butan-2-yl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide with MolForge

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Related Compounds

4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 46324693
4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-propylbenzamide
CID 46324669
4-[(2-benzylbenzimidazol-1-yl)methyl]-N-[(2S)-butan-2-yl]benzamide
CID 94013681
4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-[(1R)-1-thiophen-2-ylbutyl]benzamide
CID 92869678
3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one
CID 13170889
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
N-[(2R)-butan-2-yl]-4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]benzamide
CID 92898885
N-[(3-chlorophenyl)methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 46324645
N-[(2R)-butan-2-yl]-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzamide
CID 129359778
4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 92869686
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 46324731
N-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 46324664

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide (CID 92869667) is N-[(2S)-butan-2-yl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide is CC[C@H](C)NC(=O)c1ccc(Cn2c(=O)c(C)nc3ccccc32)cc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide?
The InChIKey is RJXDPQLPHIPIQH-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-14(2)22-20(25)17-11-9-16(10-12-17)13-24-19-8-6-5-7-18(19)23-15(3)21(24)26/h5-12,14H,4,13H2,1-3H3,(H,22,25)/t14-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide?
N-[(2S)-butan-2-yl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide has a molecular weight of 349.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide is sourced from PubChem (CID 92869667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).