(E)-N-[3-(2-methylpropoxy)phenyl]-3-(4-nitrophenyl)prop-2-enamide

C19H20N2O4 — CID 17186957

IUPAC(E)-N-[3-(2-methylpropoxy)phenyl]-3-(4-nitrophenyl)prop-2-enamide
SMILESCC(C)COc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H20N2O4/c1-14(2)13-25-18-5-3-4-16(12-18)20-19(22)11-8-15-6-9-17(10-7-15)21(23)24/h3-12,14H,13H2,1-2H3,(H,20,22)/b11-8+
InChIKeyMNKHLZGMLKOZRM-DHZHZOJOSA-N
MW340.38 g/mol
LogP4.28
Rot. Bonds7

About (E)-N-[3-(2-methylpropoxy)phenyl]-3-(4-nitrophenyl)prop-2-enamide

(E)-N-[3-(2-methylpropoxy)phenyl]-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 17186957) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (E)-N-[3-(2-methylpropoxy)phenyl]-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(2-methylpropoxy)phenyl]-3-(4-nitrophenyl)prop-2-enamide
PubChem CID17186957
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(E)-N-[3-(2-methylpropoxy)phenyl]-3-(4-nitrophenyl)prop-2-enamide
SMILESCC(C)COc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H20N2O4/c1-14(2)13-25-18-5-3-4-16(12-18)20-19(22)11-8-15-6-9-17(10-7-15)21(23)24/h3-12,14H,13H2,1-2H3,(H,20,22)/b11-8+
InChIKeyMNKHLZGMLKOZRM-DHZHZOJOSA-N
XLogP4.28
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.28
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

2-methyl-N-[3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]phenyl]propanamide
CID 17189316
N-[3-(2-methylpropoxy)phenyl]-2-(4-nitrophenoxy)propanamide
CID 17079629
(E)-N-[3-(methylcarbamoylamino)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 36824512
(E)-N-(3-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 875691
(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227150
3-(4-methylphenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 759724
[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]phenyl] acetate
CID 17341743
(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286
(E)-N-[3-[acetyl(methyl)amino]phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 46761992
N-[3-(dimethylsulfamoyl)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 3377274
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(2-methylpropoxy)phenyl]-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[3-(2-methylpropoxy)phenyl]-3-(4-nitrophenyl)prop-2-enamide (CID 17186957) is (E)-N-[3-(2-methylpropoxy)phenyl]-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(2-methylpropoxy)phenyl]-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-(2-methylpropoxy)phenyl]-3-(4-nitrophenyl)prop-2-enamide is CC(C)COc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of (E)-N-[3-(2-methylpropoxy)phenyl]-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is MNKHLZGMLKOZRM-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-14(2)13-25-18-5-3-4-16(12-18)20-19(22)11-8-15-6-9-17(10-7-15)21(23)24/h3-12,14H,13H2,1-2H3,(H,20,22)/b11-8+.
What are the key properties of (E)-N-[3-(2-methylpropoxy)phenyl]-3-(4-nitrophenyl)prop-2-enamide?
(E)-N-[3-(2-methylpropoxy)phenyl]-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 340.38 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(2-methylpropoxy)phenyl]-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 17186957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).