3,3-dimethyl-4-[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-quinoxalin-2-one

C26H27N3O2 — CID 9392167

IUPAC3,3-dimethyl-4-[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-quinoxalin-2-one
SMILESCc1ccc([C@H](NCC(=O)N2c3ccccc3NC(=O)C2(C)C)c2ccccc2)cc1
InChIInChI=1S/C26H27N3O2/c1-18-13-15-20(16-14-18)24(19-9-5-4-6-10-19)27-17-23(30)29-22-12-8-7-11-21(22)28-25(31)26(29,2)3/h4-16,24,27H,17H2,1-3H3,(H,28,31)/t24-/m1/s1
InChIKeyZRGVVDWZMGJRMX-XMMPIXPASA-N
MW413.52 g/mol
LogP4.44
Rot. Bonds5

About 3,3-dimethyl-4-[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-quinoxalin-2-one

3,3-dimethyl-4-[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-quinoxalin-2-one (PubChem CID 9392167) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 3,3-dimethyl-4-[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-quinoxalin-2-one
PubChem CID9392167
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name3,3-dimethyl-4-[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-quinoxalin-2-one
SMILESCc1ccc([C@H](NCC(=O)N2c3ccccc3NC(=O)C2(C)C)c2ccccc2)cc1
InChIInChI=1S/C26H27N3O2/c1-18-13-15-20(16-14-18)24(19-9-5-4-6-10-19)27-17-23(30)29-22-12-8-7-11-21(22)28-25(31)26(29,2)3/h4-16,24,27H,17H2,1-3H3,(H,28,31)/t24-/m1/s1
InChIKeyZRGVVDWZMGJRMX-XMMPIXPASA-N
XLogP4.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-4-[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-quinoxalin-2-one with MolForge

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Related Compounds

4-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 9307521
4-[(2S)-2-(benzhydrylamino)propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 41322400
4-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 16609221
3,3-dimethyl-4-[2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetyl]-1H-quinoxalin-2-one
CID 7489706
4-[2-(2,6-dichlorophenyl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 7466995
3,3-dimethyl-4-[2-(2,3,5,6-tetramethylphenyl)sulfanylacetyl]-1H-quinoxalin-2-one
CID 7468587
4-[2-(4-hydroxyphenyl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 87010353
4-[2-(2-ethoxyphenoxy)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 7840966
3,3-dimethyl-4-[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]-1H-quinoxalin-2-one
CID 8725457
4-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]amino]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 24616665
[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]azanium
CID 9375826
4-[(2R)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8641144

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-quinoxalin-2-one?
The IUPAC name of 3,3-dimethyl-4-[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-quinoxalin-2-one (CID 9392167) is 3,3-dimethyl-4-[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3,3-dimethyl-4-[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-quinoxalin-2-one is Cc1ccc([C@H](NCC(=O)N2c3ccccc3NC(=O)C2(C)C)c2ccccc2)cc1.
What is the InChIKey of 3,3-dimethyl-4-[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-quinoxalin-2-one?
The InChIKey is ZRGVVDWZMGJRMX-XMMPIXPASA-N. The full InChI is InChI=1S/C26H27N3O2/c1-18-13-15-20(16-14-18)24(19-9-5-4-6-10-19)27-17-23(30)29-22-12-8-7-11-21(22)28-25(31)26(29,2)3/h4-16,24,27H,17H2,1-3H3,(H,28,31)/t24-/m1/s1.
What are the key properties of 3,3-dimethyl-4-[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-quinoxalin-2-one?
3,3-dimethyl-4-[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-quinoxalin-2-one has a molecular weight of 413.52 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 9392167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).