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

C16H14N2O5 — CID 84552248

IUPAC(E)-3-(4-hydroxyphenyl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccc(O)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H14N2O5/c1-23-15-8-5-12(10-14(15)18(21)22)17-16(20)9-4-11-2-6-13(19)7-3-11/h2-10,19H,1H3,(H,17,20)/b9-4+
InChIKeyLZDJKPBZFHLGHV-RUDMXATFSA-N
MW314.30 g/mol
LogP2.96
Rot. Bonds5

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

(E)-3-(4-hydroxyphenyl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide (PubChem CID 84552248) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is (E)-3-(4-hydroxyphenyl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-hydroxyphenyl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide
PubChem CID84552248
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC Name(E)-3-(4-hydroxyphenyl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccc(O)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H14N2O5/c1-23-15-8-5-12(10-14(15)18(21)22)17-16(20)9-4-11-2-6-13(19)7-3-11/h2-10,19H,1H3,(H,17,20)/b9-4+
InChIKeyLZDJKPBZFHLGHV-RUDMXATFSA-N
XLogP2.96
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.96
H-Bond Donors ≤ 52
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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Related Compounds

(E)-N-(4-methoxy-3-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 17101982
(E)-3-(4-methoxy-3-nitrophenyl)prop-2-enehydrazide
CID 91684043
(E)-3-(furan-2-yl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide
CID 17101941
3-(3,4-dimethoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 3475022
(E)-N-[2-hydroxy-3-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(4-methoxy-3-nitrophenyl)prop-2-enamide
CID 135360114
N-(4-chloro-3-nitrophenyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 5055275
(E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 967235
[4-[[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl nitrate
CID 11484707
1-amino-N-(4-methoxy-3-nitrophenyl)cyclopropane-1-carboxamide
CID 113385263
N-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 874270
(E)-3-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 26364650
[4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]methyl nitrate
CID 11222061

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-hydroxyphenyl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-hydroxyphenyl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide (CID 84552248) is (E)-3-(4-hydroxyphenyl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-hydroxyphenyl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-hydroxyphenyl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide is COc1ccc(NC(=O)/C=C/c2ccc(O)cc2)cc1[N+](=O)[O-].
What is the InChIKey of (E)-3-(4-hydroxyphenyl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide?
The InChIKey is LZDJKPBZFHLGHV-RUDMXATFSA-N. The full InChI is InChI=1S/C16H14N2O5/c1-23-15-8-5-12(10-14(15)18(21)22)17-16(20)9-4-11-2-6-13(19)7-3-11/h2-10,19H,1H3,(H,17,20)/b9-4+.
What are the key properties of (E)-3-(4-hydroxyphenyl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide?
(E)-3-(4-hydroxyphenyl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide has a molecular weight of 314.30 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxyphenyl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 84552248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).