2-acetamido-N-(2-ethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide

C19H19N3O5 — CID 4926261

IUPAC2-acetamido-N-(2-ethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESCCOc1ccccc1NC(=O)C(=Cc1cccc([N+](=O)[O-])c1)NC(C)=O
InChIInChI=1S/C19H19N3O5/c1-3-27-18-10-5-4-9-16(18)21-19(24)17(20-13(2)23)12-14-7-6-8-15(11-14)22(25)26/h4-12H,3H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyRYGQJCVYRXFBDC-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.11
Rot. Bonds7

About 2-acetamido-N-(2-ethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide

2-acetamido-N-(2-ethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide (PubChem CID 4926261) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-acetamido-N-(2-ethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name2-acetamido-N-(2-ethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
PubChem CID4926261
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name2-acetamido-N-(2-ethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESCCOc1ccccc1NC(=O)C(=Cc1cccc([N+](=O)[O-])c1)NC(C)=O
InChIInChI=1S/C19H19N3O5/c1-3-27-18-10-5-4-9-16(18)21-19(24)17(20-13(2)23)12-14-7-6-8-15(11-14)22(25)26/h4-12H,3H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyRYGQJCVYRXFBDC-UHFFFAOYSA-N
XLogP3.11
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.11
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-[(2-ethoxyphenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide
CID 17176240
[4-[(Z)-2-acetamido-3-(2-ethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 2272784
(Z)-2-acetamido-N-(2,4-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 17285822
(E)-2-acetamido-N-methyl-3-(3-nitrophenyl)prop-2-enamide
CID 6232705
2-acetamido-N-methyl-3-(3-nitrophenyl)prop-2-enamide
CID 4926309
(Z)-2-acetamido-N-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 17285820
2-acetamido-N-(3,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4926208
2-acetamido-N-(3,5-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4926207
(Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 54777092
(Z)-2-acetamido-3-(3-nitrophenyl)-N-(1-phenylpropyl)prop-2-enamide
CID 43911521
2-acetamido-3-(3-nitrophenyl)-N-propan-2-ylprop-2-enamide
CID 4205408
(Z)-2-acetamido-N-[4-methyl-3-(propanoylamino)phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 46761048

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-ethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of 2-acetamido-N-(2-ethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide (CID 4926261) is 2-acetamido-N-(2-ethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for 2-acetamido-N-(2-ethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for 2-acetamido-N-(2-ethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide is CCOc1ccccc1NC(=O)C(=Cc1cccc([N+](=O)[O-])c1)NC(C)=O.
What is the InChIKey of 2-acetamido-N-(2-ethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide?
The InChIKey is RYGQJCVYRXFBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-3-27-18-10-5-4-9-16(18)21-19(24)17(20-13(2)23)12-14-7-6-8-15(11-14)22(25)26/h4-12H,3H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 2-acetamido-N-(2-ethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide?
2-acetamido-N-(2-ethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide has a molecular weight of 369.38 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-ethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 4926261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).