(E)-N-(2-methyl-5-nitrophenyl)-3-(4-methylphenyl)prop-2-enamide

C17H16N2O3 — CID 897528

IUPAC(E)-N-(2-methyl-5-nitrophenyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1
InChIInChI=1S/C17H16N2O3/c1-12-3-6-14(7-4-12)8-10-17(20)18-16-11-15(19(21)22)9-5-13(16)2/h3-11H,1-2H3,(H,18,20)/b10-8+
InChIKeyRYARKJFNCRSWKB-CSKARUKUSA-N
MW296.33 g/mol
LogP3.86
Rot. Bonds4

About (E)-N-(2-methyl-5-nitrophenyl)-3-(4-methylphenyl)prop-2-enamide

(E)-N-(2-methyl-5-nitrophenyl)-3-(4-methylphenyl)prop-2-enamide (PubChem CID 897528) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is (E)-N-(2-methyl-5-nitrophenyl)-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methyl-5-nitrophenyl)-3-(4-methylphenyl)prop-2-enamide
PubChem CID897528
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name(E)-N-(2-methyl-5-nitrophenyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1
InChIInChI=1S/C17H16N2O3/c1-12-3-6-14(7-4-12)8-10-17(20)18-16-11-15(19(21)22)9-5-13(16)2/h3-11H,1-2H3,(H,18,20)/b10-8+
InChIKeyRYARKJFNCRSWKB-CSKARUKUSA-N
XLogP3.86
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 5053841
3-(4-chlorophenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 898455
(E)-3-(4-aminophenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 84553779
3-(4-tert-butylphenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 805453
(E)-N-(2-methyl-5-nitrophenyl)-3-(3-methylphenyl)prop-2-enamide
CID 26576813
3-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 78783898
(E)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17187128
3-(4-methylphenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 759724
N-[(2-methyl-4-nitrophenyl)carbamothioyl]-3-(4-methylphenyl)prop-2-enamide
CID 3956085
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 51161619
N-(2-methyl-5-nitrophenyl)-3-pyridin-2-ylprop-2-enamide
CID 67494338
(E)-N-(5-chloro-2-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 884286

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methyl-5-nitrophenyl)-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-methyl-5-nitrophenyl)-3-(4-methylphenyl)prop-2-enamide (CID 897528) is (E)-N-(2-methyl-5-nitrophenyl)-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-methyl-5-nitrophenyl)-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-methyl-5-nitrophenyl)-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1.
What is the InChIKey of (E)-N-(2-methyl-5-nitrophenyl)-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is RYARKJFNCRSWKB-CSKARUKUSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-12-3-6-14(7-4-12)8-10-17(20)18-16-11-15(19(21)22)9-5-13(16)2/h3-11H,1-2H3,(H,18,20)/b10-8+.
What are the key properties of (E)-N-(2-methyl-5-nitrophenyl)-3-(4-methylphenyl)prop-2-enamide?
(E)-N-(2-methyl-5-nitrophenyl)-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 296.33 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methyl-5-nitrophenyl)-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 897528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).