(E)-N-(2-methyl-1,3-dioxoisoindol-4-yl)-3-phenylprop-2-enamide

C18H14N2O3 — CID 7157904

IUPAC(E)-N-(2-methyl-1,3-dioxoisoindol-4-yl)-3-phenylprop-2-enamide
SMILESCN1C(=O)c2cccc(NC(=O)/C=C/c3ccccc3)c2C1=O
InChIInChI=1S/C18H14N2O3/c1-20-17(22)13-8-5-9-14(16(13)18(20)23)19-15(21)11-10-12-6-3-2-4-7-12/h2-11H,1H3,(H,19,21)/b11-10+
InChIKeyCSSCUKHNQPLVPF-ZHACJKMWSA-N
MW306.32 g/mol
LogP2.56
Rot. Bonds3

About (E)-N-(2-methyl-1,3-dioxoisoindol-4-yl)-3-phenylprop-2-enamide

(E)-N-(2-methyl-1,3-dioxoisoindol-4-yl)-3-phenylprop-2-enamide (PubChem CID 7157904) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is (E)-N-(2-methyl-1,3-dioxoisoindol-4-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methyl-1,3-dioxoisoindol-4-yl)-3-phenylprop-2-enamide
PubChem CID7157904
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name(E)-N-(2-methyl-1,3-dioxoisoindol-4-yl)-3-phenylprop-2-enamide
SMILESCN1C(=O)c2cccc(NC(=O)/C=C/c3ccccc3)c2C1=O
InChIInChI=1S/C18H14N2O3/c1-20-17(22)13-8-5-9-14(16(13)18(20)23)19-15(21)11-10-12-6-3-2-4-7-12/h2-11H,1H3,(H,19,21)/b11-10+
InChIKeyCSSCUKHNQPLVPF-ZHACJKMWSA-N
XLogP2.56
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 ≤ 52.56
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

3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide
CID 3507012
(E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide
CID 875192
ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide
CID 91574735
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871
N-tert-butyl-2-(3-phenylprop-2-enoylamino)benzamide
CID 5153514
N-[2-methyl-3-(2-methylanilino)phenyl]-3-phenylprop-2-enamide
CID 139612240
2-(3-phenylprop-2-enoylamino)benzoate
CID 6935692
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(E)-N-[2-(methylaminomethyl)phenyl]-3-phenylprop-2-enamide
CID 43601058
N-(2-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
CID 4248844
N-[2,4-dihydroxy-5-(3-phenylprop-2-enoylamino)phenyl]-3-phenylprop-2-enamide
CID 154425563
(E)-N-[2-[(2-methylpropanoylamino)carbamoyl]phenyl]-3-phenylprop-2-enamide
CID 126006435

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methyl-1,3-dioxoisoindol-4-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(2-methyl-1,3-dioxoisoindol-4-yl)-3-phenylprop-2-enamide (CID 7157904) is (E)-N-(2-methyl-1,3-dioxoisoindol-4-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-methyl-1,3-dioxoisoindol-4-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(2-methyl-1,3-dioxoisoindol-4-yl)-3-phenylprop-2-enamide is CN1C(=O)c2cccc(NC(=O)/C=C/c3ccccc3)c2C1=O.
What is the InChIKey of (E)-N-(2-methyl-1,3-dioxoisoindol-4-yl)-3-phenylprop-2-enamide?
The InChIKey is CSSCUKHNQPLVPF-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-20-17(22)13-8-5-9-14(16(13)18(20)23)19-15(21)11-10-12-6-3-2-4-7-12/h2-11H,1H3,(H,19,21)/b11-10+.
What are the key properties of (E)-N-(2-methyl-1,3-dioxoisoindol-4-yl)-3-phenylprop-2-enamide?
(E)-N-(2-methyl-1,3-dioxoisoindol-4-yl)-3-phenylprop-2-enamide has a molecular weight of 306.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methyl-1,3-dioxoisoindol-4-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 7157904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).