(E)-N-(2,6-diethylphenyl)-3-(4-nitrophenyl)prop-2-enamide

C19H20N2O3 — CID 6061004

IUPAC(E)-N-(2,6-diethylphenyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESCCc1cccc(CC)c1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H20N2O3/c1-3-15-6-5-7-16(4-2)19(15)20-18(22)13-10-14-8-11-17(12-9-14)21(23)24/h5-13H,3-4H2,1-2H3,(H,20,22)/b13-10+
InChIKeyAQRGSFPSHSYYTO-JLHYYAGUSA-N
MW324.38 g/mol
LogP4.37
Rot. Bonds6

About (E)-N-(2,6-diethylphenyl)-3-(4-nitrophenyl)prop-2-enamide

(E)-N-(2,6-diethylphenyl)-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 6061004) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (E)-N-(2,6-diethylphenyl)-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,6-diethylphenyl)-3-(4-nitrophenyl)prop-2-enamide
PubChem CID6061004
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(E)-N-(2,6-diethylphenyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESCCc1cccc(CC)c1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H20N2O3/c1-3-15-6-5-7-16(4-2)19(15)20-18(22)13-10-14-8-11-17(12-9-14)21(23)24/h5-13H,3-4H2,1-2H3,(H,20,22)/b13-10+
InChIKeyAQRGSFPSHSYYTO-JLHYYAGUSA-N
XLogP4.37
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-ethyl-6-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 874179
(E)-N-(4-ethyl-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 7202879
2-methyl-N-[3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]phenyl]propanamide
CID 17189316
(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286
N-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 3643097
(E)-3-(4-nitrophenyl)-N-propylprop-2-enamide
CID 6259038
2-methyl-N-[2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]ethyl]propanamide
CID 32969553
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 896521
(Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide
CID 92909984
(E)-N-[3-(methylcarbamoylamino)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 36824512
3-(4-nitrophenyl)-N-[3-[3-(4-nitrophenyl)prop-2-enoylamino]naphthalen-2-yl]prop-2-enamide
CID 3974611
(E)-N-(3-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 875691

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,6-diethylphenyl)-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2,6-diethylphenyl)-3-(4-nitrophenyl)prop-2-enamide (CID 6061004) is (E)-N-(2,6-diethylphenyl)-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,6-diethylphenyl)-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,6-diethylphenyl)-3-(4-nitrophenyl)prop-2-enamide is CCc1cccc(CC)c1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (E)-N-(2,6-diethylphenyl)-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is AQRGSFPSHSYYTO-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-15-6-5-7-16(4-2)19(15)20-18(22)13-10-14-8-11-17(12-9-14)21(23)24/h5-13H,3-4H2,1-2H3,(H,20,22)/b13-10+.
What are the key properties of (E)-N-(2,6-diethylphenyl)-3-(4-nitrophenyl)prop-2-enamide?
(E)-N-(2,6-diethylphenyl)-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 324.38 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,6-diethylphenyl)-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 6061004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).