4-ethoxy-N-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]benzamide

C18H19N3O4 — CID 9214766

IUPAC4-ethoxy-N-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]benzamide
SMILESCCOc1ccc(C(=O)N/N=C\c2ccc(CC)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C18H19N3O4/c1-3-14-6-5-13(11-17(14)21(23)24)12-19-20-18(22)15-7-9-16(10-8-15)25-4-2/h5-12H,3-4H2,1-2H3,(H,20,22)/b19-12-
InChIKeyDDRYQKKDQKEMTN-UNOMPAQXSA-N
MW341.37 g/mol
LogP3.32
Rot. Bonds7

About 4-ethoxy-N-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]benzamide

4-ethoxy-N-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]benzamide (PubChem CID 9214766) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-ethoxy-N-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]benzamide
PubChem CID9214766
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name4-ethoxy-N-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]benzamide
SMILESCCOc1ccc(C(=O)N/N=C\c2ccc(CC)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C18H19N3O4/c1-3-14-6-5-13(11-17(14)21(23)24)12-19-20-18(22)15-7-9-16(10-8-15)25-4-2/h5-12H,3-4H2,1-2H3,(H,20,22)/b19-12-
InChIKeyDDRYQKKDQKEMTN-UNOMPAQXSA-N
XLogP3.32
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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

4-ethoxy-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 136700737
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 5418193
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 6009398
N-[(4-ethoxyphenyl)methylideneamino]-3-methyl-4-nitrobenzamide
CID 3566459
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
4-ethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 5403359
4-decoxy-N-[(4-methyl-3-nitrophenyl)methylideneamino]benzamide
CID 3896584
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 136671572
2-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 137151796
4-ethyl-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135673739
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 4-ethoxy-N-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]benzamide (CID 9214766) is 4-ethoxy-N-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-ethoxy-N-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]benzamide is CCOc1ccc(C(=O)N/N=C\c2ccc(CC)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-ethoxy-N-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]benzamide?
The InChIKey is DDRYQKKDQKEMTN-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-3-14-6-5-13(11-17(14)21(23)24)12-19-20-18(22)15-7-9-16(10-8-15)25-4-2/h5-12H,3-4H2,1-2H3,(H,20,22)/b19-12-.
What are the key properties of 4-ethoxy-N-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]benzamide?
4-ethoxy-N-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]benzamide has a molecular weight of 341.37 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 9214766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).