N-(4-methoxy-2-nitrophenyl)-3-(4-methoxyphenyl)prop-2-enamide

C17H16N2O5 — CID 2931371

IUPACN-(4-methoxy-2-nitrophenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H16N2O5/c1-23-13-6-3-12(4-7-13)5-10-17(20)18-15-9-8-14(24-2)11-16(15)19(21)22/h3-11H,1-2H3,(H,18,20)
InChIKeyKZJORSUNCKNBBK-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.26
Rot. Bonds6

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

N-(4-methoxy-2-nitrophenyl)-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 2931371) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID2931371
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC NameN-(4-methoxy-2-nitrophenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H16N2O5/c1-23-13-6-3-12(4-7-13)5-10-17(20)18-15-9-8-14(24-2)11-16(15)19(21)22/h3-11H,1-2H3,(H,18,20)
InChIKeyKZJORSUNCKNBBK-UHFFFAOYSA-N
XLogP3.26
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.26
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

N-(4-methoxy-2-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 3410037
3-(1,3-benzodioxol-5-yl)-N-(4-methoxy-2-nitrophenyl)prop-2-enamide
CID 2787554
(E)-3-(4-fluorophenyl)-N-[(4-methoxy-2-nitrophenyl)carbamothioyl]prop-2-enamide
CID 6234632
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
2-hydroxyimino-N-(4-methoxy-2-nitrophenyl)acetamide
CID 23255692
N-(4-ethoxy-2-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 2931629
(E)-3-(3,5-dichloro-2-methoxyphenyl)-N-(4-methoxy-2-nitrophenyl)prop-2-enamide
CID 6147507
(E)-N-(4-chloro-2-nitrophenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 6293145
(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 875420
(E)-3-(4-hydroxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide
CID 84552112
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 7486336

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-3-(4-methoxyphenyl)prop-2-enamide (CID 2931371) is N-(4-methoxy-2-nitrophenyl)-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(C=CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is KZJORSUNCKNBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-23-13-6-3-12(4-7-13)5-10-17(20)18-15-9-8-14(24-2)11-16(15)19(21)22/h3-11H,1-2H3,(H,18,20).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
N-(4-methoxy-2-nitrophenyl)-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 328.32 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2931371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).