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

C16H14N2O4 — CID 84552112

IUPAC(E)-3-(4-hydroxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2ccc(O)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14N2O4/c1-11-2-8-14(15(10-11)18(21)22)17-16(20)9-5-12-3-6-13(19)7-4-12/h2-10,19H,1H3,(H,17,20)/b9-5+
InChIKeyJEQHFPGQLUWBBG-WEVVVXLNSA-N
MW298.30 g/mol
LogP3.26
Rot. Bonds4

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

(E)-3-(4-hydroxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide (PubChem CID 84552112) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is (E)-3-(4-hydroxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-hydroxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide
PubChem CID84552112
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name(E)-3-(4-hydroxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2ccc(O)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14N2O4/c1-11-2-8-14(15(10-11)18(21)22)17-16(20)9-5-12-3-6-13(19)7-4-12/h2-10,19H,1H3,(H,17,20)/b9-5+
InChIKeyJEQHFPGQLUWBBG-WEVVVXLNSA-N
XLogP3.26
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 53.26
H-Bond Donors ≤ 52
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

3-(3,4-diethoxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide
CID 2792890
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-methyl-2-nitrophenyl)prop-2-enamide
CID 18863144
(E)-N-(4-chloro-2-nitrophenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 6293145
N-(4-methoxy-2-nitrophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 2931371
(E)-N-(4-chloro-2-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 84550557
(E)-3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methyl-2-nitrophenyl)prop-2-enamide
CID 6005799
(E)-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 969096
N-[(4-chloro-2-nitrophenyl)carbamothioyl]-3-(4-methylphenyl)prop-2-enamide
CID 4948422
(E)-N-(2-methyl-5-nitrophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 897528
(E)-3-(4-hydroxyphenyl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide
CID 84552248
N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide
CID 4123173
[(E)-3-phenylprop-2-enyl] N-(4-methyl-2-nitrophenyl)carbamate
CID 6185348

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-hydroxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-hydroxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide (CID 84552112) is (E)-3-(4-hydroxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-hydroxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-hydroxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide is Cc1ccc(NC(=O)/C=C/c2ccc(O)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of (E)-3-(4-hydroxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide?
The InChIKey is JEQHFPGQLUWBBG-WEVVVXLNSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-11-2-8-14(15(10-11)18(21)22)17-16(20)9-5-12-3-6-13(19)7-4-12/h2-10,19H,1H3,(H,17,20)/b9-5+.
What are the key properties of (E)-3-(4-hydroxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide?
(E)-3-(4-hydroxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide has a molecular weight of 298.30 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 84552112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).