N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(2-methylphenyl)propanamide

C19H18N2O3 — CID 110732701

IUPACN-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C19H18N2O3/c1-12-5-3-4-6-13(12)7-10-17(22)20-14-8-9-15-16(11-14)19(24)21(2)18(15)23/h3-6,8-9,11H,7,10H2,1-2H3,(H,20,22)
InChIKeyWYSPPEHQNLWYQQ-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.79
Rot. Bonds4

About N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(2-methylphenyl)propanamide

N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(2-methylphenyl)propanamide (PubChem CID 110732701) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(2-methylphenyl)propanamide
PubChem CID110732701
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C19H18N2O3/c1-12-5-3-4-6-13(12)7-10-17(22)20-14-8-9-15-16(11-14)19(24)21(2)18(15)23/h3-6,8-9,11H,7,10H2,1-2H3,(H,20,22)
InChIKeyWYSPPEHQNLWYQQ-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
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-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-methylphenyl)propanamide
CID 110778945
3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 18070369
2-(2-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 26906999
3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 110724040
3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-3-oxopropanoic acid
CID 62230900
N-(1H-indazol-6-yl)-3-(2-methylphenyl)propanamide
CID 110731205
N-(3-fluoro-4-hydroxyphenyl)-3-(2-methylphenyl)propanamide
CID 64781649
2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 7597200
2-ethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)butanamide
CID 110732693
3-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 60841920
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108873482
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 32799074

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(2-methylphenyl)propanamide?
The IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(2-methylphenyl)propanamide (CID 110732701) is N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(2-methylphenyl)propanamide is Cc1ccccc1CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(2-methylphenyl)propanamide?
The InChIKey is WYSPPEHQNLWYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-5-3-4-6-13(12)7-10-17(22)20-14-8-9-15-16(11-14)19(24)21(2)18(15)23/h3-6,8-9,11H,7,10H2,1-2H3,(H,20,22).
What are the key properties of N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(2-methylphenyl)propanamide?
N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(2-methylphenyl)propanamide has a molecular weight of 322.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 110732701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).