2-(3,5-dimethylphenoxy)-N-[(Z)-[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide

C19H19N3O4 — CID 25247286

IUPAC2-(3,5-dimethylphenoxy)-N-[(Z)-[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide
SMILESCc1cc(C)cc(OCC(=O)N/N=C\C=C/c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H19N3O4/c1-14-10-15(2)12-18(11-14)26-13-19(23)21-20-9-3-4-16-5-7-17(8-6-16)22(24)25/h3-12H,13H2,1-2H3,(H,21,23)/b4-3-,20-9-
InChIKeyJTOKQJIMSLQVCG-YIOKEUICSA-N
MW353.38 g/mol
LogP3.41
Rot. Bonds7

About 2-(3,5-dimethylphenoxy)-N-[(Z)-[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide

2-(3,5-dimethylphenoxy)-N-[(Z)-[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide (PubChem CID 25247286) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[(Z)-[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[(Z)-[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide
PubChem CID25247286
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-(3,5-dimethylphenoxy)-N-[(Z)-[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide
SMILESCc1cc(C)cc(OCC(=O)N/N=C\C=C/c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H19N3O4/c1-14-10-15(2)12-18(11-14)26-13-19(23)21-20-9-3-4-16-5-7-17(8-6-16)22(24)25/h3-12H,13H2,1-2H3,(H,21,23)/b4-3-,20-9-
InChIKeyJTOKQJIMSLQVCG-YIOKEUICSA-N
XLogP3.41
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.41
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-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3514578
2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 774635
2-(3,5-dimethylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 966519
2-(4-nitrophenoxy)-N-(propylideneamino)acetamide
CID 4617733
2-(3,5-dimethylphenoxy)-N-[(E)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 25247309
[4-[[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 1270719
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 6002004
2-(3,5-dimethylphenoxy)-N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]acetamide
CID 135879015
N-[(E)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 6896409
N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 909373
N-[(Z)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 5414565
2-(2-bromo-4-methylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
CID 6875539

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[(Z)-[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[(Z)-[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide (CID 25247286) is 2-(3,5-dimethylphenoxy)-N-[(Z)-[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[(Z)-[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[(Z)-[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide is Cc1cc(C)cc(OCC(=O)N/N=C\C=C/c2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[(Z)-[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide?
The InChIKey is JTOKQJIMSLQVCG-YIOKEUICSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-14-10-15(2)12-18(11-14)26-13-19(23)21-20-9-3-4-16-5-7-17(8-6-16)22(24)25/h3-12H,13H2,1-2H3,(H,21,23)/b4-3-,20-9-.
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[(Z)-[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide?
2-(3,5-dimethylphenoxy)-N-[(Z)-[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide has a molecular weight of 353.38 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[(Z)-[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide is sourced from PubChem (CID 25247286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).