N-[(Z)-1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide

C18H19N3O4 — CID 6268412

IUPACN-[(Z)-1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide
SMILESCC/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1
InChIInChI=1S/C18H19N3O4/c1-3-17(14-6-10-16(25-2)11-7-14)19-20-18(22)12-13-4-8-15(9-5-13)21(23)24/h4-11H,3,12H2,1-2H3,(H,20,22)/b19-17-
InChIKeyWAINCXFVBALCSJ-ZPHPHTNESA-N
MW341.37 g/mol
LogP3.08
Rot. Bonds7

About N-[(Z)-1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide

N-[(Z)-1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide (PubChem CID 6268412) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[(Z)-1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide
PubChem CID6268412
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-[(Z)-1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide
SMILESCC/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1
InChIInChI=1S/C18H19N3O4/c1-3-17(14-6-10-16(25-2)11-7-14)19-20-18(22)12-13-4-8-15(9-5-13)21(23)24/h4-11H,3,12H2,1-2H3,(H,20,22)/b19-17-
InChIKeyWAINCXFVBALCSJ-ZPHPHTNESA-N
XLogP3.08
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.08
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

N-[1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide
CID 5093411
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide
CID 135736270
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenoxy)acetamide
CID 135560389
2-(4-nitrophenoxy)-N-[1-(4-phenylphenyl)propylideneamino]acetamide
CID 5187996
[(E)-[1-(4-methoxyphenyl)-2-(4-nitrophenyl)ethylidene]amino] acetate
CID 7244988
N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-(4-methoxyphenyl)acetamide
CID 6004384
N-(1-naphthalen-2-ylethylideneamino)-2-(4-nitrophenyl)acetamide
CID 5201296
2-(4-methoxyphenyl)-N-(1-phenylbutylideneamino)acetamide
CID 3467394
N-[(E)-1-(4-methoxyphenyl)propylideneamino]pentanamide
CID 6379049
N-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
CID 968760
N-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126338124
N-[(E)-1-(4-methoxyphenyl)propylideneamino]decanamide
CID 6004456

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[(Z)-1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide (CID 6268412) is N-[(Z)-1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[(Z)-1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[(Z)-1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide is CC/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1.
What is the InChIKey of N-[(Z)-1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide?
The InChIKey is WAINCXFVBALCSJ-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H19N3O4/c1-3-17(14-6-10-16(25-2)11-7-14)19-20-18(22)12-13-4-8-15(9-5-13)21(23)24/h4-11H,3,12H2,1-2H3,(H,20,22)/b19-17-.
What are the key properties of N-[(Z)-1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide?
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide has a molecular weight of 341.37 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 6268412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).