N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methoxy-5-nitrobenzamide

C17H17N3O5 — CID 126186109

IUPACN-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methoxy-5-nitrobenzamide
SMILESCCOc1ccc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C17H17N3O5/c1-3-25-14-7-4-12(5-8-14)11-18-19-17(21)15-10-13(20(22)23)6-9-16(15)24-2/h4-11H,3H2,1-2H3,(H,19,21)/b18-11-
InChIKeyUFVMFVOPZQFKDK-WQRHYEAKSA-N
MW343.34 g/mol
LogP2.77
Rot. Bonds7

About N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methoxy-5-nitrobenzamide

N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methoxy-5-nitrobenzamide (PubChem CID 126186109) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methoxy-5-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methoxy-5-nitrobenzamide
PubChem CID126186109
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methoxy-5-nitrobenzamide
SMILESCCOc1ccc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C17H17N3O5/c1-3-25-14-7-4-12(5-8-14)11-18-19-17(21)15-10-13(20(22)23)6-9-16(15)24-2/h4-11H,3H2,1-2H3,(H,19,21)/b18-11-
InChIKeyUFVMFVOPZQFKDK-WQRHYEAKSA-N
XLogP2.77
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

methyl 2-[4-[(Z)-[(2-methoxy-5-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 126182183
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 5418193
2-methoxy-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-5-nitrobenzamide
CID 126264618
N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 5457641
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-methoxy-5-nitrobenzamide
CID 126266681
N-[(4-ethoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
CID 5031002
N-(4-ethoxyphenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6187350
[2-methoxy-4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 3598745
[4-[[(5-bromo-2-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate
CID 3868279
N-[(Z)-(5-ethoxy-2-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 5431266
2,4-dimethoxy-N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 4218029
N-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide
CID 3367862

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methoxy-5-nitrobenzamide?
The IUPAC name of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methoxy-5-nitrobenzamide (CID 126186109) is N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methoxy-5-nitrobenzamide.
What is the SMILES notation for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methoxy-5-nitrobenzamide?
The canonical SMILES for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methoxy-5-nitrobenzamide is CCOc1ccc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1.
What is the InChIKey of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methoxy-5-nitrobenzamide?
The InChIKey is UFVMFVOPZQFKDK-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-3-25-14-7-4-12(5-8-14)11-18-19-17(21)15-10-13(20(22)23)6-9-16(15)24-2/h4-11H,3H2,1-2H3,(H,19,21)/b18-11-.
What are the key properties of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methoxy-5-nitrobenzamide?
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methoxy-5-nitrobenzamide has a molecular weight of 343.34 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methoxy-5-nitrobenzamide is sourced from PubChem (CID 126186109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).