N-(1,3-dioxoisoindol-2-yl)-2-methyl-3-phenylprop-2-enamide

C18H14N2O3 — CID 3820988

IUPACN-(1,3-dioxoisoindol-2-yl)-2-methyl-3-phenylprop-2-enamide
SMILESCC(=Cc1ccccc1)C(=O)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H14N2O3/c1-12(11-13-7-3-2-4-8-13)16(21)19-20-17(22)14-9-5-6-10-15(14)18(20)23/h2-11H,1H3,(H,19,21)
InChIKeyHLZRAGVUSJBTCM-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.42
Rot. Bonds3

About N-(1,3-dioxoisoindol-2-yl)-2-methyl-3-phenylprop-2-enamide

N-(1,3-dioxoisoindol-2-yl)-2-methyl-3-phenylprop-2-enamide (PubChem CID 3820988) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-2-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-2-methyl-3-phenylprop-2-enamide
PubChem CID3820988
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-2-methyl-3-phenylprop-2-enamide
SMILESCC(=Cc1ccccc1)C(=O)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H14N2O3/c1-12(11-13-7-3-2-4-8-13)16(21)19-20-17(22)14-9-5-6-10-15(14)18(20)23/h2-11H,1H3,(H,19,21)
InChIKeyHLZRAGVUSJBTCM-UHFFFAOYSA-N
XLogP2.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2-methyl-3-phenylprop-2-enamide
CID 141089970
2-(1-phenylprop-1-en-2-yl)isoindole-1,3-dione
CID 54502671
(E)-2-methyl-3-phenyl-N-(1-phenylethyl)prop-2-enamide
CID 6247193
4-[(1,3-dioxoisoindol-2-yl)amino]-4-oxobut-2-enoic acid
CID 717738
N-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 142645113
2-methyl-N-nitro-3-phenylprop-2-enamide
CID 66709876
(Z)-2-methyl-N-oxo-3-phenylprop-2-enamide
CID 134576531
(E)-N,N,2-trimethyl-3-phenylprop-2-enamide
CID 6372631
2-methyl-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide
CID 4153463
(Z)-2-methyl-3-phenylprop-2-enoyl chloride
CID 5355069
(E)-3-methyl-2-oxo-4-phenylbut-3-enoic acid
CID 15110556
N-(1,3-dioxoisoindol-2-yl)-4-phenylbenzamide
CID 2834281

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-2-yl)-2-methyl-3-phenylprop-2-enamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-2-methyl-3-phenylprop-2-enamide (CID 3820988) is N-(1,3-dioxoisoindol-2-yl)-2-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-2-methyl-3-phenylprop-2-enamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-2-methyl-3-phenylprop-2-enamide is CC(=Cc1ccccc1)C(=O)NN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-2-methyl-3-phenylprop-2-enamide?
The InChIKey is HLZRAGVUSJBTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-12(11-13-7-3-2-4-8-13)16(21)19-20-17(22)14-9-5-6-10-15(14)18(20)23/h2-11H,1H3,(H,19,21).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-2-methyl-3-phenylprop-2-enamide?
N-(1,3-dioxoisoindol-2-yl)-2-methyl-3-phenylprop-2-enamide has a molecular weight of 306.32 g/mol, XLogP of 2.42, 3 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)-2-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 3820988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).