(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(3-ethylphenyl)propanamide

C19H18N2O3 — CID 7994568

IUPAC(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(3-ethylphenyl)propanamide
SMILESCCc1cccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H18N2O3/c1-3-13-7-6-8-14(11-13)20-17(22)12(2)21-18(23)15-9-4-5-10-16(15)19(21)24/h4-12H,3H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyUJMWBIVXKQZYJO-GFCCVEGCSA-N
MW322.36 g/mol
LogP2.87
Rot. Bonds4

About (2R)-2-(1,3-dioxoisoindol-2-yl)-N-(3-ethylphenyl)propanamide

(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(3-ethylphenyl)propanamide (PubChem CID 7994568) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is (2R)-2-(1,3-dioxoisoindol-2-yl)-N-(3-ethylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(3-ethylphenyl)propanamide
PubChem CID7994568
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(3-ethylphenyl)propanamide
SMILESCCc1cccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H18N2O3/c1-3-13-7-6-8-14(11-13)20-17(22)12(2)21-18(23)15-9-4-5-10-16(15)19(21)24/h4-12H,3H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyUJMWBIVXKQZYJO-GFCCVEGCSA-N
XLogP2.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.87
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

(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
(2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7104334
methyl 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
CID 2788215
(2S)-N-(2,6-diethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 1189020
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)propanamide
CID 679819
(2R)-N-(3-chlorophenyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 31779050
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 680388
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 122286196
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)propanamide
CID 24666659
(2R)-N-(4-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 721438
N-(2-butan-2-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 78699303
N-(3-ethylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79196152

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-dioxoisoindol-2-yl)-N-(3-ethylphenyl)propanamide?
The IUPAC name of (2R)-2-(1,3-dioxoisoindol-2-yl)-N-(3-ethylphenyl)propanamide (CID 7994568) is (2R)-2-(1,3-dioxoisoindol-2-yl)-N-(3-ethylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(1,3-dioxoisoindol-2-yl)-N-(3-ethylphenyl)propanamide?
The canonical SMILES for (2R)-2-(1,3-dioxoisoindol-2-yl)-N-(3-ethylphenyl)propanamide is CCc1cccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of (2R)-2-(1,3-dioxoisoindol-2-yl)-N-(3-ethylphenyl)propanamide?
The InChIKey is UJMWBIVXKQZYJO-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-13-7-6-8-14(11-13)20-17(22)12(2)21-18(23)15-9-4-5-10-16(15)19(21)24/h4-12H,3H2,1-2H3,(H,20,22)/t12-/m1/s1.
What are the key properties of (2R)-2-(1,3-dioxoisoindol-2-yl)-N-(3-ethylphenyl)propanamide?
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(3-ethylphenyl)propanamide has a molecular weight of 322.36 g/mol, XLogP of 2.87, 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)-N-(3-ethylphenyl)propanamide is sourced from PubChem (CID 7994568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).