N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-nitrobenzamide

C19H21N3O5 — CID 9016103

IUPACN-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-nitrobenzamide
SMILESCCCOc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC
InChIInChI=1S/C19H21N3O5/c1-3-10-27-17-9-8-14(11-18(17)26-4-2)13-20-21-19(23)15-6-5-7-16(12-15)22(24)25/h5-9,11-13H,3-4,10H2,1-2H3,(H,21,23)/b20-13-
InChIKeyZNOBQHALKWCZBC-MOSHPQCFSA-N
MW371.39 g/mol
LogP3.55
Rot. Bonds9

About N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-nitrobenzamide

N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-nitrobenzamide (PubChem CID 9016103) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-nitrobenzamide
PubChem CID9016103
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-nitrobenzamide
SMILESCCCOc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC
InChIInChI=1S/C19H21N3O5/c1-3-10-27-17-9-8-14(11-18(17)26-4-2)13-20-21-19(23)15-6-5-7-16(12-15)22(24)25/h5-9,11-13H,3-4,10H2,1-2H3,(H,21,23)/b20-13-
InChIKeyZNOBQHALKWCZBC-MOSHPQCFSA-N
XLogP3.55
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.55
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

N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 110506641
N-[(E)-[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-3-nitrobenzamide
CID 126272475
N-[[3-ethoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-nitrobenzamide
CID 4265248
3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 126324922
N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126326152
N-[(E)-(3-ethoxy-4-methoxy-5-nitrophenyl)methylideneamino]-3-nitrobenzamide
CID 110506741
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-3-nitrobenzamide
CID 96884567
N-[(E)-(3-methoxy-5-nitro-4-propoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 110506734
3-nitro-N-[(Z)-(4-pentoxyphenyl)methylideneamino]benzamide
CID 7676203
4-amino-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 9071275
3-ethoxy-4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 126322648
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 110506784

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-nitrobenzamide?
The IUPAC name of N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-nitrobenzamide (CID 9016103) is N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-nitrobenzamide.
What is the SMILES notation for N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-nitrobenzamide?
The canonical SMILES for N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-nitrobenzamide is CCCOc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC.
What is the InChIKey of N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-nitrobenzamide?
The InChIKey is ZNOBQHALKWCZBC-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-3-10-27-17-9-8-14(11-18(17)26-4-2)13-20-21-19(23)15-6-5-7-16(12-15)22(24)25/h5-9,11-13H,3-4,10H2,1-2H3,(H,21,23)/b20-13-.
What are the key properties of N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-nitrobenzamide?
N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-nitrobenzamide has a molecular weight of 371.39 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-nitrobenzamide is sourced from PubChem (CID 9016103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).