2-amino-N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]benzamide

C18H20N4O5 — CID 110512071

IUPAC2-amino-N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]benzamide
SMILESCCOc1cc(/C=N\NC(=O)c2ccccc2N)cc([N+](=O)[O-])c1OCC
InChIInChI=1S/C18H20N4O5/c1-3-26-16-10-12(9-15(22(24)25)17(16)27-4-2)11-20-21-18(23)13-7-5-6-8-14(13)19/h5-11H,3-4,19H2,1-2H3,(H,21,23)/b20-11-
InChIKeyXGVUENXMQYLMSB-JAIQZWGSSA-N
MW372.38 g/mol
LogP2.74
Rot. Bonds8

About 2-amino-N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]benzamide

2-amino-N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]benzamide (PubChem CID 110512071) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-amino-N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]benzamide
PubChem CID110512071
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name2-amino-N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]benzamide
SMILESCCOc1cc(/C=N\NC(=O)c2ccccc2N)cc([N+](=O)[O-])c1OCC
InChIInChI=1S/C18H20N4O5/c1-3-26-16-10-12(9-15(22(24)25)17(16)27-4-2)11-20-21-18(23)13-7-5-6-8-14(13)19/h5-11H,3-4,19H2,1-2H3,(H,21,23)/b20-11-
InChIKeyXGVUENXMQYLMSB-JAIQZWGSSA-N
XLogP2.74
TPSA129.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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

N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 110514737
4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]-2-ethoxy-6-nitrophenolate
CID 7369614
2-ethoxy-4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-6-nitrophenolate
CID 135783746
2-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 135601206
2-amino-N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]benzamide
CID 110512074
N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 136798711
2-amino-N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]benzamide
CID 110512103
N-[(Z)-(4-butoxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-hydroxybenzamide
CID 110509500
N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 110505855
N-[(E)-(3-ethoxy-4-methoxy-5-nitrophenyl)methylideneamino]-3-nitrobenzamide
CID 110506741
1-[(E)-(4-ethoxy-3-methoxy-5-nitrophenyl)methylideneamino]-3-phenylurea
CID 110508812
N-[(Z)-(4-ethoxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 110514733

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 2-amino-N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]benzamide (CID 110512071) is 2-amino-N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-amino-N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-amino-N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]benzamide is CCOc1cc(/C=N\NC(=O)c2ccccc2N)cc([N+](=O)[O-])c1OCC.
What is the InChIKey of 2-amino-N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]benzamide?
The InChIKey is XGVUENXMQYLMSB-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H20N4O5/c1-3-26-16-10-12(9-15(22(24)25)17(16)27-4-2)11-20-21-18(23)13-7-5-6-8-14(13)19/h5-11H,3-4,19H2,1-2H3,(H,21,23)/b20-11-.
What are the key properties of 2-amino-N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]benzamide?
2-amino-N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]benzamide has a molecular weight of 372.38 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 110512071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).