N-(2-methoxy-5-nitrophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide

C23H20N2O5 — CID 1191358

IUPACN-(2-methoxy-5-nitrophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H20N2O5/c1-29-22-13-10-19(25(27)28)15-21(22)24-23(26)14-9-17-7-11-20(12-8-17)30-16-18-5-3-2-4-6-18/h2-15H,16H2,1H3,(H,24,26)
InChIKeyRMZQWQPYAYRUOD-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.83
Rot. Bonds8

About N-(2-methoxy-5-nitrophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide

N-(2-methoxy-5-nitrophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide (PubChem CID 1191358) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
PubChem CID1191358
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC NameN-(2-methoxy-5-nitrophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H20N2O5/c1-29-22-13-10-19(25(27)28)15-21(22)24-23(26)14-9-17-7-11-20(12-8-17)30-16-18-5-3-2-4-6-18/h2-15H,16H2,1H3,(H,24,26)
InChIKeyRMZQWQPYAYRUOD-UHFFFAOYSA-N
XLogP4.83
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.83
H-Bond Donors ≤ 51
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-(4,5-dimethoxy-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 29194971
3-(4-tert-butylphenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
CID 1291349
(E)-N-[(2-methoxy-5-nitrophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 6276091
(E)-3-(2-bromophenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
CID 46809317
3-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
CID 1178404
N-(2-butoxy-5-methoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 76861901
N-(2,5-diethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 75618226
N-[(2-methoxy-5-nitrophenyl)carbamothioyl]-3-phenylmethoxybenzamide
CID 22780703
(E)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 6043889
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 51161619
(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-N-(2-nitrophenyl)prop-2-enamide
CID 51057666
1-(2-methoxy-5-nitrophenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903362

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide (CID 1191358) is N-(2-methoxy-5-nitrophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide is COc1ccc([N+](=O)[O-])cc1NC(=O)C=Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
The InChIKey is RMZQWQPYAYRUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5/c1-29-22-13-10-19(25(27)28)15-21(22)24-23(26)14-9-17-7-11-20(12-8-17)30-16-18-5-3-2-4-6-18/h2-15H,16H2,1H3,(H,24,26).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
N-(2-methoxy-5-nitrophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide has a molecular weight of 404.42 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 1191358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).