N-(2,6-dimethylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide

C20H20N2O3 — CID 30433880

IUPACN-(2,6-dimethylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1ccc2c(c1)C(=O)N(CCC(=O)Nc1c(C)cccc1C)C2=O
InChIInChI=1S/C20H20N2O3/c1-12-7-8-15-16(11-12)20(25)22(19(15)24)10-9-17(23)21-18-13(2)5-4-6-14(18)3/h4-8,11H,9-10H2,1-3H3,(H,21,23)
InChIKeyOENKDPRWPVOQHI-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.24
Rot. Bonds4

About N-(2,6-dimethylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide

N-(2,6-dimethylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 30433880) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
PubChem CID30433880
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(2,6-dimethylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1ccc2c(c1)C(=O)N(CCC(=O)Nc1c(C)cccc1C)C2=O
InChIInChI=1S/C20H20N2O3/c1-12-7-8-15-16(11-12)20(25)22(19(15)24)10-9-17(23)21-18-13(2)5-4-6-14(18)3/h4-8,11H,9-10H2,1-3H3,(H,21,23)
InChIKeyOENKDPRWPVOQHI-UHFFFAOYSA-N
XLogP3.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.24
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

4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,6-dimethylphenyl)butanamide
CID 30433870
3-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 723292
N-(3-methoxyphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30426218
N-(2-methoxy-5-methylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30430739
N-(1,3-benzothiazol-2-yl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30446398
N-[(2,4-dimethylphenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 46591341
N-(2-ethylsulfonylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 55613446
methyl 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46816833
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide
CID 47776606
N-(2-hydroxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 78855951
N-(3,4-dimethylphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27167782
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 55797969

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide (CID 30433880) is N-(2,6-dimethylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide is Cc1ccc2c(c1)C(=O)N(CCC(=O)Nc1c(C)cccc1C)C2=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is OENKDPRWPVOQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-12-7-8-15-16(11-12)20(25)22(19(15)24)10-9-17(23)21-18-13(2)5-4-6-14(18)3/h4-8,11H,9-10H2,1-3H3,(H,21,23).
What are the key properties of N-(2,6-dimethylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
N-(2,6-dimethylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 336.39 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 30433880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).