(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide

C22H24N2O3 — CID 7081327

IUPAC(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide
SMILESCCc1cccc(C)c1NC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H24N2O3/c1-5-15-10-8-9-14(4)18(15)23-20(25)19(13(2)3)24-21(26)16-11-6-7-12-17(16)22(24)27/h6-13,19H,5H2,1-4H3,(H,23,25)/t19-/m1/s1
InChIKeyFQNFXCFCXZYBOJ-LJQANCHMSA-N
MW364.45 g/mol
LogP3.82
Rot. Bonds5

About (2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide

(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide (PubChem CID 7081327) 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)-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide
PubChem CID7081327
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide
SMILESCCc1cccc(C)c1NC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H24N2O3/c1-5-15-10-8-9-14(4)18(15)23-20(25)19(13(2)3)24-21(26)16-11-6-7-12-17(16)22(24)27/h6-13,19H,5H2,1-4H3,(H,23,25)/t19-/m1/s1
InChIKeyFQNFXCFCXZYBOJ-LJQANCHMSA-N
XLogP3.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.82
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

(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)butanamide
CID 978736
(2S)-N-(2,6-diethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 1189020
N-(3,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 55345703
3-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 723292
(2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide
CID 79011736
(2S)-N-(2-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 1182064
2-(2,5-dimethyl-4-oxohexan-3-yl)isoindole-1,3-dione
CID 70891240
(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
N-(3-acetamido-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 55784633
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide
CID 19165197
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide?
The IUPAC name of (2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide (CID 7081327) is (2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide is CCc1cccc(C)c1NC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide?
The InChIKey is FQNFXCFCXZYBOJ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-5-15-10-8-9-14(4)18(15)23-20(25)19(13(2)3)24-21(26)16-11-6-7-12-17(16)22(24)27/h6-13,19H,5H2,1-4H3,(H,23,25)/t19-/m1/s1.
What are the key properties of (2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide?
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide has a molecular weight of 364.45 g/mol, XLogP of 3.82, 5 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)-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide is sourced from PubChem (CID 7081327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).