N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide

C21H25N3O2 — CID 97006179

IUPACN-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide
SMILESCc1ccc([C@@H](C)NC(=O)CN2c3ccccc3NC(=O)[C@@H]2C)cc1C
InChIInChI=1S/C21H25N3O2/c1-13-9-10-17(11-14(13)2)15(3)22-20(25)12-24-16(4)21(26)23-18-7-5-6-8-19(18)24/h5-11,15-16H,12H2,1-4H3,(H,22,25)(H,23,26)/t15-,16+/m1/s1
InChIKeyPYAKCPMTRFBPOX-CVEARBPZSA-N
MW351.45 g/mol
LogP3.33
Rot. Bonds4

About N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide

N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide (PubChem CID 97006179) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide
PubChem CID97006179
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide
SMILESCc1ccc([C@@H](C)NC(=O)CN2c3ccccc3NC(=O)[C@@H]2C)cc1C
InChIInChI=1S/C21H25N3O2/c1-13-9-10-17(11-14(13)2)15(3)22-20(25)12-24-16(4)21(26)23-18-7-5-6-8-19(18)24/h5-11,15-16H,12H2,1-4H3,(H,22,25)(H,23,26)/t15-,16+/m1/s1
InChIKeyPYAKCPMTRFBPOX-CVEARBPZSA-N
XLogP3.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide (CID 97006179) is N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide is Cc1ccc([C@@H](C)NC(=O)CN2c3ccccc3NC(=O)[C@@H]2C)cc1C.
What is the InChIKey of N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide?
The InChIKey is PYAKCPMTRFBPOX-CVEARBPZSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-13-9-10-17(11-14(13)2)15(3)22-20(25)12-24-16(4)21(26)23-18-7-5-6-8-19(18)24/h5-11,15-16H,12H2,1-4H3,(H,22,25)(H,23,26)/t15-,16+/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide?
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]acetamide is sourced from PubChem (CID 97006179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).