N-[(Z)-1-(2-methylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide

C17H17N3O4 — CID 9466904

IUPACN-[(Z)-1-(2-methylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
SMILESC/C(=N/NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1C
InChIInChI=1S/C17H17N3O4/c1-12-7-3-4-8-14(12)13(2)18-19-17(21)11-24-16-10-6-5-9-15(16)20(22)23/h3-10H,11H2,1-2H3,(H,19,21)/b18-13-
InChIKeySSDAMGIVUCUXBM-AQTBWJFISA-N
MW327.34 g/mol
LogP2.82
Rot. Bonds6

About N-[(Z)-1-(2-methylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide

N-[(Z)-1-(2-methylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide (PubChem CID 9466904) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[(Z)-1-(2-methylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(2-methylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
PubChem CID9466904
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-[(Z)-1-(2-methylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
SMILESC/C(=N/NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1C
InChIInChI=1S/C17H17N3O4/c1-12-7-3-4-8-14(12)13(2)18-19-17(21)11-24-16-10-6-5-9-15(16)20(22)23/h3-10H,11H2,1-2H3,(H,19,21)/b18-13-
InChIKeySSDAMGIVUCUXBM-AQTBWJFISA-N
XLogP2.82
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.82
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-(2-nitrophenoxy)-N-[(Z)-1-(2,4,5-trimethylphenyl)ethylideneamino]acetamide
CID 9466938
N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9467197
2-(4-chloro-2-methylphenoxy)-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]acetamide
CID 9317103
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 135811597
2-(2-nitrophenoxy)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide
CID 7571540
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7761399
2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]acetamide
CID 9316714
2-(2-nitrophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide
CID 2847875
2-(2-nitrophenoxy)-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 171980830
2-(4-methyl-2-nitrophenoxy)-N-(1-phenylethylideneamino)acetamide
CID 758143
2-(2-methylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 5404940
2-(2-nitrophenoxy)-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 9467219

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2-methylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[(Z)-1-(2-methylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide (CID 9466904) is N-[(Z)-1-(2-methylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-1-(2-methylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(Z)-1-(2-methylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide is C/C(=N/NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1C.
What is the InChIKey of N-[(Z)-1-(2-methylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide?
The InChIKey is SSDAMGIVUCUXBM-AQTBWJFISA-N. The full InChI is InChI=1S/C17H17N3O4/c1-12-7-3-4-8-14(12)13(2)18-19-17(21)11-24-16-10-6-5-9-15(16)20(22)23/h3-10H,11H2,1-2H3,(H,19,21)/b18-13-.
What are the key properties of N-[(Z)-1-(2-methylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide?
N-[(Z)-1-(2-methylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide has a molecular weight of 327.34 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2-methylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 9466904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).