(E)-N-(2-methoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide

C16H14N2O4 — CID 792621

IUPAC(E)-N-(2-methoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESCOc1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H14N2O4/c1-22-15-8-3-2-7-14(15)17-16(19)10-9-12-5-4-6-13(11-12)18(20)21/h2-11H,1H3,(H,17,19)/b10-9+
InChIKeyMKLRJSBUIYHPQS-MDZDMXLPSA-N
MW298.30 g/mol
LogP3.26
Rot. Bonds5

About (E)-N-(2-methoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide

(E)-N-(2-methoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide (PubChem CID 792621) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is (E)-N-(2-methoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
PubChem CID792621
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name(E)-N-(2-methoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESCOc1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H14N2O4/c1-22-15-8-3-2-7-14(15)17-16(19)10-9-12-5-4-6-13(11-12)18(20)21/h2-11H,1H3,(H,17,19)/b10-9+
InChIKeyMKLRJSBUIYHPQS-MDZDMXLPSA-N
XLogP3.26
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-methoxy-3-nitro-N-phenylbenzamide
CID 7331
4'-Methoxy-3-nitrobenzanilide
CID 306529
Benzenepropanamide, N-(2-methoxyphenyl)-3-nitro-beta-oxo-
CID 113058
Acetamide, N-(2-methoxy-5-methylphenyl)-
CID 81412
2-(4-Methoxy-3-nitro-benzylsulfanyl)-N-phenyl-acetamide
CID 585384
(E)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one
CID 1927436
3-(2-Methoxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one
CID 915709
N-(Cinnamoyl)-4-methoxyaniline
CID 690965
N-[4-(aminocarbonyl)phenyl]-4-methoxy-3-nitrobenzamide
CID 874576
4-methoxy-~{N}-oxidanyl-3-(2-phenylethanoylamino)benzamide
CID 127047413
3-benzamido-4-methoxy-~{N}-oxidanyl-benzamide
CID 127047651
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3-phenyl-acrylamide; oxalic acid
CID 11731962

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-methoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide (CID 792621) is (E)-N-(2-methoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-methoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-methoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide is COc1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1.
What is the InChIKey of (E)-N-(2-methoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide?
The InChIKey is MKLRJSBUIYHPQS-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-22-15-8-3-2-7-14(15)17-16(19)10-9-12-5-4-6-13(11-12)18(20)21/h2-11H,1H3,(H,17,19)/b10-9+.
What are the key properties of (E)-N-(2-methoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide?
(E)-N-(2-methoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide has a molecular weight of 298.30 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 792621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).