N-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanamide

C18H16N2O3 — CID 11066794

IUPACN-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H16N2O3/c1-12-6-8-13(9-7-12)10-11-16(21)19-20-17(22)14-4-2-3-5-15(14)18(20)23/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyRNZDTJWQKYUQJM-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.26
Rot. Bonds4

About N-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanamide

N-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanamide (PubChem CID 11066794) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanamide
PubChem CID11066794
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H16N2O3/c1-12-6-8-13(9-7-12)10-11-16(21)19-20-17(22)14-4-2-3-5-15(14)18(20)23/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyRNZDTJWQKYUQJM-UHFFFAOYSA-N
XLogP2.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.26
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

3-(4-chlorophenyl)-N-(1,3-dioxoisoindol-2-yl)propanamide
CID 10925510
N-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 142645113
N-(1,3-dioxoisoindol-2-yl)octanamide
CID 11173742
3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602
N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-(1,3-dioxoisoindol-2-yl)-3,3,3-trifluoropropanamide
CID 53484393
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556376
3-(1,3-dioxoisoindol-2-yl)propyl 3-(4-methylphenyl)propanoate
CID 110495074
3-(4-methylphenyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28578275
N-(1,3-dioxoisoindol-2-yl)-3-methylhexanamide
CID 75526472
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 874332

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanamide (CID 11066794) is N-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanamide?
The InChIKey is RNZDTJWQKYUQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-6-8-13(9-7-12)10-11-16(21)19-20-17(22)14-4-2-3-5-15(14)18(20)23/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanamide?
N-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanamide has a molecular weight of 308.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 11066794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).