(E)-N-(2,5-dimethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide

C17H16N2O5 — CID 889026

IUPAC(E)-N-(2,5-dimethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide
SMILESCOc1ccc(OC)c(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C17H16N2O5/c1-23-13-8-9-16(24-2)14(11-13)18-17(20)10-7-12-5-3-4-6-15(12)19(21)22/h3-11H,1-2H3,(H,18,20)/b10-7+
InChIKeyQJPIMSHLEGOINR-JXMROGBWSA-N
MW328.32 g/mol
LogP3.26
Rot. Bonds6

About (E)-N-(2,5-dimethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide

(E)-N-(2,5-dimethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide (PubChem CID 889026) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is (E)-N-(2,5-dimethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,5-dimethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide
PubChem CID889026
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name(E)-N-(2,5-dimethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide
SMILESCOc1ccc(OC)c(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C17H16N2O5/c1-23-13-8-9-16(24-2)14(11-13)18-17(20)10-7-12-5-3-4-6-15(12)19(21)22/h3-11H,1-2H3,(H,18,20)/b10-7+
InChIKeyQJPIMSHLEGOINR-JXMROGBWSA-N
XLogP3.26
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,5-dimethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2,5-dimethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide (CID 889026) is (E)-N-(2,5-dimethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,5-dimethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,5-dimethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide is COc1ccc(OC)c(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of (E)-N-(2,5-dimethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide?
The InChIKey is QJPIMSHLEGOINR-JXMROGBWSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-23-13-8-9-16(24-2)14(11-13)18-17(20)10-7-12-5-3-4-6-15(12)19(21)22/h3-11H,1-2H3,(H,18,20)/b10-7+.
What are the key properties of (E)-N-(2,5-dimethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide?
(E)-N-(2,5-dimethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide has a molecular weight of 328.32 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,5-dimethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 889026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).