(E)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide

C19H20N2O5 — CID 90598018

IUPAC(E)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide
SMILESCOc1ccccc1C(CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)OC
InChIInChI=1S/C19H20N2O5/c1-25-17-6-4-3-5-16(17)18(26-2)13-20-19(22)12-9-14-7-10-15(11-8-14)21(23)24/h3-12,18H,13H2,1-2H3,(H,20,22)/b12-9+
InChIKeyDRUOSZOVJIPMHX-FMIVXFBMSA-N
MW356.38 g/mol
LogP3.12
Rot. Bonds8

About (E)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide

(E)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 90598018) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is (E)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide
PubChem CID90598018
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name(E)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide
SMILESCOc1ccccc1C(CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)OC
InChIInChI=1S/C19H20N2O5/c1-25-17-6-4-3-5-16(17)18(26-2)13-20-19(22)12-9-14-7-10-15(11-8-14)21(23)24/h3-12,18H,13H2,1-2H3,(H,20,22)/b12-9+
InChIKeyDRUOSZOVJIPMHX-FMIVXFBMSA-N
XLogP3.12
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.12
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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Related Compounds

(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17070188
(E)-N-(2-hydroxy-3-phenylpropyl)-3-(4-nitrophenyl)prop-2-enamide
CID 90534392
(E)-1-(2-methoxyphenyl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 19566928
N-(2,3-dihydroxypropyl)-3-(4-nitrophenyl)prop-2-enamide
CID 77114099
(E)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 26442165
[(1S)-1-(2,3-dimethoxyphenyl)-2-(3-phenylprop-2-enoylamino)ethyl] 3-phenylprop-2-enoate
CID 130362657
(E)-3-(4-nitrophenyl)-N-propylprop-2-enamide
CID 6259038
(E)-N-(3-aminobutyl)-3-(4-nitrophenyl)prop-2-enamide
CID 55168553
2-methyl-N-[2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]ethyl]propanamide
CID 32969553
N-(3-methylbutyl)-3-(4-nitrophenyl)prop-2-enamide
CID 2837045
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide
CID 90598230
(E)-N'-[2-(2-butan-2-ylphenoxy)acetyl]-3-(4-nitrophenyl)prop-2-enehydrazide
CID 17187004

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide (CID 90598018) is (E)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide is COc1ccccc1C(CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)OC.
What is the InChIKey of (E)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is DRUOSZOVJIPMHX-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-25-17-6-4-3-5-16(17)18(26-2)13-20-19(22)12-9-14-7-10-15(11-8-14)21(23)24/h3-12,18H,13H2,1-2H3,(H,20,22)/b12-9+.
What are the key properties of (E)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide?
(E)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 356.38 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 90598018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).