2-(4-butylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide

C19H21N3O4 — CID 6873068

IUPAC2-(4-butylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
SMILESCCCCc1ccc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H21N3O4/c1-2-3-5-15-8-10-18(11-9-15)26-14-19(23)21-20-13-16-6-4-7-17(12-16)22(24)25/h4,6-13H,2-3,5,14H2,1H3,(H,21,23)/b20-13+
InChIKeyDVIYNYOSXVPVDW-DEDYPNTBSA-N
MW355.39 g/mol
LogP3.47
Rot. Bonds9

About 2-(4-butylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide

2-(4-butylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide (PubChem CID 6873068) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-(4-butylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-butylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
PubChem CID6873068
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-(4-butylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
SMILESCCCCc1ccc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H21N3O4/c1-2-3-5-15-8-10-18(11-9-15)26-14-19(23)21-20-13-16-6-4-7-17(12-16)22(24)25/h4,6-13H,2-3,5,14H2,1H3,(H,21,23)/b20-13+
InChIKeyDVIYNYOSXVPVDW-DEDYPNTBSA-N
XLogP3.47
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.47
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

2-(4-methoxyphenoxy)-N-[(3-nitrophenyl)methylideneamino]acetamide
CID 774611
2-(4-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5404935
2-(4-chlorophenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6870633
2-(4-iodophenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 5334791
N-[(E)-benzylideneamino]-2-(4-butylphenoxy)acetamide
CID 6876624
propyl 4-[2-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 4927284
2-(3-methoxyphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 19208624
2-(4-chloro-3,5-dimethylphenoxy)-N-[(3-nitrophenyl)methylideneamino]acetamide
CID 5230409
2-(4-butylphenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 6042930
N-[(E)-(3-nitrophenyl)methylideneamino]butanamide
CID 19629163
2-(4-butylphenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135606578
N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide
CID 5380788

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-butylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide (CID 6873068) is 2-(4-butylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-butylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-butylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide is CCCCc1ccc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 2-(4-butylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide?
The InChIKey is DVIYNYOSXVPVDW-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-2-3-5-15-8-10-18(11-9-15)26-14-19(23)21-20-13-16-6-4-7-17(12-16)22(24)25/h4,6-13H,2-3,5,14H2,1H3,(H,21,23)/b20-13+.
What are the key properties of 2-(4-butylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide?
2-(4-butylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide has a molecular weight of 355.39 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 6873068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).