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

C16H13N3O6 — CID 3410037

IUPACN-(4-methoxy-2-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H13N3O6/c1-25-13-6-7-14(15(10-13)19(23)24)17-16(20)8-5-11-3-2-4-12(9-11)18(21)22/h2-10H,1H3,(H,17,20)
InChIKeyYIELWSWBUIYMCX-UHFFFAOYSA-N
MW343.30 g/mol
LogP3.16
Rot. Bonds6

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

N-(4-methoxy-2-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide (PubChem CID 3410037) has the molecular formula C16H13N3O6 and a molecular weight of 343.30 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
PubChem CID3410037
Molecular FormulaC16H13N3O6
Molecular Weight343.30 g/mol
Exact Mass343.08
IUPAC NameN-(4-methoxy-2-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H13N3O6/c1-25-13-6-7-14(15(10-13)19(23)24)17-16(20)8-5-11-3-2-4-12(9-11)18(21)22/h2-10H,1H3,(H,17,20)
InChIKeyYIELWSWBUIYMCX-UHFFFAOYSA-N
XLogP3.16
TPSA124.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(Z)-N-(2,4-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 2268412
N-(4-methoxy-2-nitrophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 2931371
(E)-N-(4-methoxy-3,5-dinitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 17050340
N-(4-methoxyphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 6020571
3-(1,3-benzodioxol-5-yl)-N-(4-methoxy-2-nitrophenyl)prop-2-enamide
CID 2787554
(E)-3-(3-chlorophenyl)-N-(2,4-dinitrophenyl)prop-2-enamide
CID 6060588
(E)-N-(4-methoxy-3-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 17101982
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 7794290
N-(2-chloro-4-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 5065196
(E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 881540
N-(2-bromo-4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 1069900
dimethyl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzene-1,4-dicarboxylate
CID 1371219

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide (CID 3410037) is N-(4-methoxy-2-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide is COc1ccc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide?
The InChIKey is YIELWSWBUIYMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O6/c1-25-13-6-7-14(15(10-13)19(23)24)17-16(20)8-5-11-3-2-4-12(9-11)18(21)22/h2-10H,1H3,(H,17,20).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide?
N-(4-methoxy-2-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide has a molecular weight of 343.30 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 3410037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).