N-[(Z)-1-(4-ethoxy-3-nitrophenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide

C19H21N3O5 — CID 126156130

IUPACN-[(Z)-1-(4-ethoxy-3-nitrophenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
SMILESCCOc1ccc(/C(C)=N\NC(=O)Cc2ccc(OC)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H21N3O5/c1-4-27-18-10-7-15(12-17(18)22(24)25)13(2)20-21-19(23)11-14-5-8-16(26-3)9-6-14/h5-10,12H,4,11H2,1-3H3,(H,21,23)/b20-13-
InChIKeySKDKPMGZURUKIF-MOSHPQCFSA-N
MW371.39 g/mol
LogP3.09
Rot. Bonds8

About N-[(Z)-1-(4-ethoxy-3-nitrophenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide

N-[(Z)-1-(4-ethoxy-3-nitrophenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide (PubChem CID 126156130) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[(Z)-1-(4-ethoxy-3-nitrophenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-ethoxy-3-nitrophenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
PubChem CID126156130
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-[(Z)-1-(4-ethoxy-3-nitrophenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
SMILESCCOc1ccc(/C(C)=N\NC(=O)Cc2ccc(OC)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H21N3O5/c1-4-27-18-10-7-15(12-17(18)22(24)25)13(2)20-21-19(23)11-14-5-8-16(26-3)9-6-14/h5-10,12H,4,11H2,1-3H3,(H,21,23)/b20-13-
InChIKeySKDKPMGZURUKIF-MOSHPQCFSA-N
XLogP3.09
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.09
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-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126338124
N-[1-(4-ethylphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 4247577
N-cyclopropyl-4-ethoxy-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide
CID 9299408
N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 5448416
2-(4-bromophenyl)-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]acetamide
CID 27524668
N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide
CID 7428724
N-(1-naphthalen-2-ylethylideneamino)-2-(4-nitrophenyl)acetamide
CID 5201296
N-[1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide
CID 5093411
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide
CID 6268412
3,4,5-triethoxy-N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]benzamide
CID 6055861
2-(4-chloroanilino)-N-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]acetamide
CID 126365422
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-2-phenylacetamide
CID 5399435

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-ethoxy-3-nitrophenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[(Z)-1-(4-ethoxy-3-nitrophenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide (CID 126156130) is N-[(Z)-1-(4-ethoxy-3-nitrophenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(Z)-1-(4-ethoxy-3-nitrophenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(Z)-1-(4-ethoxy-3-nitrophenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide is CCOc1ccc(/C(C)=N\NC(=O)Cc2ccc(OC)cc2)cc1[N+](=O)[O-].
What is the InChIKey of N-[(Z)-1-(4-ethoxy-3-nitrophenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide?
The InChIKey is SKDKPMGZURUKIF-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-4-27-18-10-7-15(12-17(18)22(24)25)13(2)20-21-19(23)11-14-5-8-16(26-3)9-6-14/h5-10,12H,4,11H2,1-3H3,(H,21,23)/b20-13-.
What are the key properties of N-[(Z)-1-(4-ethoxy-3-nitrophenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide?
N-[(Z)-1-(4-ethoxy-3-nitrophenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide has a molecular weight of 371.39 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-ethoxy-3-nitrophenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 126156130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).