N-(4-ethoxy-2-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

C20H22N2O4 — CID 2931629

IUPACN-(4-ethoxy-2-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCCOc1ccc(NC(=O)C=Cc2ccc(C(C)C)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H22N2O4/c1-4-26-17-10-11-18(19(13-17)22(24)25)21-20(23)12-7-15-5-8-16(9-6-15)14(2)3/h5-14H,4H2,1-3H3,(H,21,23)
InChIKeyNHAURVKBLDGWGD-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.77
Rot. Bonds7

About N-(4-ethoxy-2-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

N-(4-ethoxy-2-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 2931629) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(4-ethoxy-2-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-ethoxy-2-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID2931629
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-(4-ethoxy-2-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCCOc1ccc(NC(=O)C=Cc2ccc(C(C)C)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H22N2O4/c1-4-26-17-10-11-18(19(13-17)22(24)25)21-20(23)12-7-15-5-8-16(9-6-15)14(2)3/h5-14H,4H2,1-3H3,(H,21,23)
InChIKeyNHAURVKBLDGWGD-UHFFFAOYSA-N
XLogP4.77
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.77
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

N-(4-ethoxy-2-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 2933763
(E)-3-(4-tert-butylphenyl)-N-(4-ethoxy-2-nitrophenyl)prop-2-enamide
CID 6027037
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
(E)-N-(4-chloro-2-nitrophenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 6293145
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254
2-amino-N-(4-ethoxy-2-nitrophenyl)-3-methylbutanamide
CID 60780427
N-(4-ethoxy-2-nitrophenyl)pentanamide
CID 4295410

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of N-(4-ethoxy-2-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 2931629) is N-(4-ethoxy-2-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-ethoxy-2-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for N-(4-ethoxy-2-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is CCOc1ccc(NC(=O)C=Cc2ccc(C(C)C)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-ethoxy-2-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is NHAURVKBLDGWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-4-26-17-10-11-18(19(13-17)22(24)25)21-20(23)12-7-15-5-8-16(9-6-15)14(2)3/h5-14H,4H2,1-3H3,(H,21,23).
What are the key properties of N-(4-ethoxy-2-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
N-(4-ethoxy-2-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 354.41 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 2931629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).