N-[(2,4-dimethylphenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide

C21H22N2O3 — CID 46591341

IUPACN-[(2,4-dimethylphenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1ccc(CNC(=O)CCN2C(=O)c3ccc(C)cc3C2=O)c(C)c1
InChIInChI=1S/C21H22N2O3/c1-13-4-6-16(15(3)10-13)12-22-19(24)8-9-23-20(25)17-7-5-14(2)11-18(17)21(23)26/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,24)
InChIKeyNHEJJNQCXZKOTB-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.91
Rot. Bonds5

About N-[(2,4-dimethylphenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide

N-[(2,4-dimethylphenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 46591341) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
PubChem CID46591341
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1ccc(CNC(=O)CCN2C(=O)c3ccc(C)cc3C2=O)c(C)c1
InChIInChI=1S/C21H22N2O3/c1-13-4-6-16(15(3)10-13)12-22-19(24)8-9-23-20(25)17-7-5-14(2)11-18(17)21(23)26/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,24)
InChIKeyNHEJJNQCXZKOTB-UHFFFAOYSA-N
XLogP2.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.91
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-fluorophenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30438801
N-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 32603613
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 55907455
N-(2-hydroxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 78855951
N-[[4-[(1S)-1-hydroxyethyl]phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 97199289
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
CID 47029004
N-(2,6-dimethylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30433880
N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 60551623
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2S)-2-[(S)-methylsulfinyl]propyl]propanamide
CID 97006967
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 55797930
methyl 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46816833
N-(3-ethoxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 27680688

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide (CID 46591341) is N-[(2,4-dimethylphenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide is Cc1ccc(CNC(=O)CCN2C(=O)c3ccc(C)cc3C2=O)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is NHEJJNQCXZKOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13-4-6-16(15(3)10-13)12-22-19(24)8-9-23-20(25)17-7-5-14(2)11-18(17)21(23)26/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,24).
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
N-[(2,4-dimethylphenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 350.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 46591341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).