(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)butanamide

C22H24N2O3 — CID 978736

IUPAC(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)butanamide
SMILESCc1cc(C)c(NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(C)c1
InChIInChI=1S/C22H24N2O3/c1-12(2)19(20(25)23-18-14(4)10-13(3)11-15(18)5)24-21(26)16-8-6-7-9-17(16)22(24)27/h6-12,19H,1-5H3,(H,23,25)/t19-/m1/s1
InChIKeyQJEPNFGXLKMPFN-LJQANCHMSA-N
MW364.45 g/mol
LogP3.87
Rot. Bonds4

About (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)butanamide

(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)butanamide (PubChem CID 978736) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)butanamide
PubChem CID978736
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)butanamide
SMILESCc1cc(C)c(NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(C)c1
InChIInChI=1S/C22H24N2O3/c1-12(2)19(20(25)23-18-14(4)10-13(3)11-15(18)5)24-21(26)16-8-6-7-9-17(16)22(24)27/h6-12,19H,1-5H3,(H,23,25)/t19-/m1/s1
InChIKeyQJEPNFGXLKMPFN-LJQANCHMSA-N
XLogP3.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 55345703
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide
CID 7081327
N-(3-acetamido-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 55784633
(2S)-N-(2-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 1182064
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-3-methylbutanamide
CID 680589
N-(3-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 2787122
(2S)-N-(2,4,6-trimethylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
CID 7423161
4-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzamide
CID 978515
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-methylsulfanylphenyl)butanamide
CID 134124262
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide
CID 1112265
4-[[(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzamide
CID 978517
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 19197271

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)butanamide?
The IUPAC name of (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)butanamide (CID 978736) is (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)butanamide.
What is the SMILES notation for (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)butanamide?
The canonical SMILES for (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)butanamide is Cc1cc(C)c(NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(C)c1.
What is the InChIKey of (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)butanamide?
The InChIKey is QJEPNFGXLKMPFN-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-12(2)19(20(25)23-18-14(4)10-13(3)11-15(18)5)24-21(26)16-8-6-7-9-17(16)22(24)27/h6-12,19H,1-5H3,(H,23,25)/t19-/m1/s1.
What are the key properties of (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)butanamide?
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)butanamide has a molecular weight of 364.45 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)butanamide is sourced from PubChem (CID 978736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).