(E)-3-(4-tert-butylphenyl)-N-(4-ethoxy-2-nitrophenyl)prop-2-enamide

C21H24N2O4 — CID 6027037

IUPAC(E)-3-(4-tert-butylphenyl)-N-(4-ethoxy-2-nitrophenyl)prop-2-enamide
SMILESCCOc1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C21H24N2O4/c1-5-27-17-11-12-18(19(14-17)23(25)26)22-20(24)13-8-15-6-9-16(10-7-15)21(2,3)4/h6-14H,5H2,1-4H3,(H,22,24)/b13-8+
InChIKeyZBDAYFDWCPACOJ-MDWZMJQESA-N
MW368.43 g/mol
LogP4.94
Rot. Bonds6

About (E)-3-(4-tert-butylphenyl)-N-(4-ethoxy-2-nitrophenyl)prop-2-enamide

(E)-3-(4-tert-butylphenyl)-N-(4-ethoxy-2-nitrophenyl)prop-2-enamide (PubChem CID 6027037) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is (E)-3-(4-tert-butylphenyl)-N-(4-ethoxy-2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-tert-butylphenyl)-N-(4-ethoxy-2-nitrophenyl)prop-2-enamide
PubChem CID6027037
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name(E)-3-(4-tert-butylphenyl)-N-(4-ethoxy-2-nitrophenyl)prop-2-enamide
SMILESCCOc1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C21H24N2O4/c1-5-27-17-11-12-18(19(14-17)23(25)26)22-20(24)13-8-15-6-9-16(10-7-15)21(2,3)4/h6-14H,5H2,1-4H3,(H,22,24)/b13-8+
InChIKeyZBDAYFDWCPACOJ-MDWZMJQESA-N
XLogP4.94
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.94
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'}

Analyze (E)-3-(4-tert-butylphenyl)-N-(4-ethoxy-2-nitrophenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethoxy-2-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 2933763
N-(4-ethoxy-2-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 2931629
4-(4-ethoxy-2-nitroanilino)-4-oxobut-2-enoate
CID 7175755
3-(4-bromophenyl)-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]prop-2-enamide
CID 3291955
N-(4-methoxy-2-nitrophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 2931371
N-(2,5-diethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 75618226
3-(3,4-diethoxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide
CID 2792890
N,N'-bis(4-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455
N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 5060247
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254
N-(2,2-dimethylpropyl)-4-ethoxy-2-nitroaniline
CID 61323922
N-(4-ethoxy-2-nitrophenyl)pentanamide
CID 4295410

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-tert-butylphenyl)-N-(4-ethoxy-2-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-tert-butylphenyl)-N-(4-ethoxy-2-nitrophenyl)prop-2-enamide (CID 6027037) is (E)-3-(4-tert-butylphenyl)-N-(4-ethoxy-2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-tert-butylphenyl)-N-(4-ethoxy-2-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-tert-butylphenyl)-N-(4-ethoxy-2-nitrophenyl)prop-2-enamide is CCOc1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of (E)-3-(4-tert-butylphenyl)-N-(4-ethoxy-2-nitrophenyl)prop-2-enamide?
The InChIKey is ZBDAYFDWCPACOJ-MDWZMJQESA-N. The full InChI is InChI=1S/C21H24N2O4/c1-5-27-17-11-12-18(19(14-17)23(25)26)22-20(24)13-8-15-6-9-16(10-7-15)21(2,3)4/h6-14H,5H2,1-4H3,(H,22,24)/b13-8+.
What are the key properties of (E)-3-(4-tert-butylphenyl)-N-(4-ethoxy-2-nitrophenyl)prop-2-enamide?
(E)-3-(4-tert-butylphenyl)-N-(4-ethoxy-2-nitrophenyl)prop-2-enamide has a molecular weight of 368.43 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-tert-butylphenyl)-N-(4-ethoxy-2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 6027037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).