(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide

C22H24N2O3 — CID 7067644

IUPAC(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide
SMILESCCc1ccccc1NC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H24N2O3/c1-4-15-9-5-8-12-18(15)23-20(25)19(13-14(2)3)24-21(26)16-10-6-7-11-17(16)22(24)27/h5-12,14,19H,4,13H2,1-3H3,(H,23,25)/t19-/m0/s1
InChIKeyIKLKNBSVNOLLER-IBGZPJMESA-N
MW364.45 g/mol
LogP3.90
Rot. Bonds6

About (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide (PubChem CID 7067644) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide
PubChem CID7067644
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide
SMILESCCc1ccccc1NC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H24N2O3/c1-4-15-9-5-8-12-18(15)23-20(25)19(13-14(2)3)24-21(26)16-10-6-7-11-17(16)22(24)27/h5-12,14,19H,4,13H2,1-3H3,(H,23,25)/t19-/m0/s1
InChIKeyIKLKNBSVNOLLER-IBGZPJMESA-N
XLogP3.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.90
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

(2S)-N-(2-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 2420991
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)-4-methylpentanamide
CID 8714159
(2R)-N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 8760285
N-(2-chlorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 2901149
(2S)-N-(2,4-dimethoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 7605329
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-naphthalen-2-ylpentanamide
CID 4070544
(2S)-N-(3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 1112281
2-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)-4-methylpentanamide
CID 19167534
1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(2-ethylphenyl)urea
CID 108872274
(2R)-2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(4-nitrophenyl)pentanamide
CID 7067637
(2R)-N-(1,3-benzodioxol-5-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 2303089
N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 4547476

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide?
The IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide (CID 7067644) is (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide is CCc1ccccc1NC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide?
The InChIKey is IKLKNBSVNOLLER-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N2O3/c1-4-15-9-5-8-12-18(15)23-20(25)19(13-14(2)3)24-21(26)16-10-6-7-11-17(16)22(24)27/h5-12,14,19H,4,13H2,1-3H3,(H,23,25)/t19-/m0/s1.
What are the key properties of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide?
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide has a molecular weight of 364.45 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide is sourced from PubChem (CID 7067644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).