N-[2-(1,3-dioxoisoindol-2-yl)-4-methylphenyl]-2-methylpropanamide

C19H18N2O3 — CID 168516887

IUPACN-[2-(1,3-dioxoisoindol-2-yl)-4-methylphenyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)C)c(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H18N2O3/c1-11(2)17(22)20-15-9-8-12(3)10-16(15)21-18(23)13-6-4-5-7-14(13)19(21)24/h4-11H,1-3H3,(H,20,22)
InChIKeyQRUPXGRBFXHPNV-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.39
Rot. Bonds3

About N-[2-(1,3-dioxoisoindol-2-yl)-4-methylphenyl]-2-methylpropanamide

N-[2-(1,3-dioxoisoindol-2-yl)-4-methylphenyl]-2-methylpropanamide (PubChem CID 168516887) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[2-(1,3-dioxoisoindol-2-yl)-4-methylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxoisoindol-2-yl)-4-methylphenyl]-2-methylpropanamide
PubChem CID168516887
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[2-(1,3-dioxoisoindol-2-yl)-4-methylphenyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)C)c(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H18N2O3/c1-11(2)17(22)20-15-9-8-12(3)10-16(15)21-18(23)13-6-4-5-7-14(13)19(21)24/h4-11H,1-3H3,(H,20,22)
InChIKeyQRUPXGRBFXHPNV-UHFFFAOYSA-N
XLogP3.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.39
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-[2-(1,3-dioxoisoindol-2-yl)-5-methoxyphenyl]-2-methylpropanamide
CID 168516679
N-(2,4-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)benzamide
CID 168516541
N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]acetamide
CID 10335547
2-(2-fluoro-4-methylphenyl)isoquinoline-1,3,4-trione
CID 101438443
N-[2-(aminomethyl)-4-methylphenyl]-2-methylpropanamide
CID 82507184
N-(1,3-dioxo-2-phenylisoindol-5-yl)-2-methylpropanamide
CID 839386
N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]propanamide
CID 168516635
2-[2-(difluoromethoxy)-5-methylphenyl]isoindole-1,3-dione
CID 168517756
N-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 28867092
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 4055441
(2S)-N-(5-chloro-2-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7728470
N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylbutanamide
CID 168516325

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)-4-methylphenyl]-2-methylpropanamide?
The IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)-4-methylphenyl]-2-methylpropanamide (CID 168516887) is N-[2-(1,3-dioxoisoindol-2-yl)-4-methylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(1,3-dioxoisoindol-2-yl)-4-methylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(1,3-dioxoisoindol-2-yl)-4-methylphenyl]-2-methylpropanamide is Cc1ccc(NC(=O)C(C)C)c(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-[2-(1,3-dioxoisoindol-2-yl)-4-methylphenyl]-2-methylpropanamide?
The InChIKey is QRUPXGRBFXHPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-11(2)17(22)20-15-9-8-12(3)10-16(15)21-18(23)13-6-4-5-7-14(13)19(21)24/h4-11H,1-3H3,(H,20,22).
What are the key properties of N-[2-(1,3-dioxoisoindol-2-yl)-4-methylphenyl]-2-methylpropanamide?
N-[2-(1,3-dioxoisoindol-2-yl)-4-methylphenyl]-2-methylpropanamide has a molecular weight of 322.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxoisoindol-2-yl)-4-methylphenyl]-2-methylpropanamide is sourced from PubChem (CID 168516887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).