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

C16H13N3O6 — CID 17101982

IUPAC(E)-N-(4-methoxy-3-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H13N3O6/c1-25-15-7-6-12(10-14(15)19(23)24)17-16(20)8-5-11-3-2-4-13(9-11)18(21)22/h2-10H,1H3,(H,17,20)/b8-5+
InChIKeyIZESLZMDKLVKFY-VMPITWQZSA-N
MW343.30 g/mol
LogP3.16
Rot. Bonds6

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

(E)-N-(4-methoxy-3-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide (PubChem CID 17101982) has the molecular formula C16H13N3O6 and a molecular weight of 343.30 g/mol. Its IUPAC name is (E)-N-(4-methoxy-3-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-methoxy-3-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
PubChem CID17101982
Molecular FormulaC16H13N3O6
Molecular Weight343.30 g/mol
Exact Mass343.08
IUPAC Name(E)-N-(4-methoxy-3-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H13N3O6/c1-25-15-7-6-12(10-14(15)19(23)24)17-16(20)8-5-11-3-2-4-13(9-11)18(21)22/h2-10H,1H3,(H,17,20)/b8-5+
InChIKeyIZESLZMDKLVKFY-VMPITWQZSA-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

(E)-N-(4-methoxy-3,5-dinitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 17050340
(E)-3-(4-hydroxyphenyl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide
CID 84552248
(E)-3-(3-nitrophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5374478
(E)-N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide
CID 6079033
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-nitrophenyl)prop-2-enamide
CID 26561960
N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide
CID 2307230
3-(2,6-dimethoxyphenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 963710
3-(3,4-dimethoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 3475022
N-(4-methoxy-2-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 3410037
(Z)-N-(2,4-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 2268412
(E)-3-(furan-2-yl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide
CID 17101941
N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 692314

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methoxy-3-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-methoxy-3-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide (CID 17101982) is (E)-N-(4-methoxy-3-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-methoxy-3-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-methoxy-3-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide is COc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-].
What is the InChIKey of (E)-N-(4-methoxy-3-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide?
The InChIKey is IZESLZMDKLVKFY-VMPITWQZSA-N. The full InChI is InChI=1S/C16H13N3O6/c1-25-15-7-6-12(10-14(15)19(23)24)17-16(20)8-5-11-3-2-4-13(9-11)18(21)22/h2-10H,1H3,(H,17,20)/b8-5+.
What are the key properties of (E)-N-(4-methoxy-3-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide?
(E)-N-(4-methoxy-3-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 (E)-N-(4-methoxy-3-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 17101982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).