N-(cyclooctylideneamino)-2-(2-nitrophenoxy)acetamide

C16H21N3O4 — CID 9467129

IUPACN-(cyclooctylideneamino)-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NN=C1CCCCCCC1
InChIInChI=1S/C16H21N3O4/c20-16(18-17-13-8-4-2-1-3-5-9-13)12-23-15-11-7-6-10-14(15)19(21)22/h6-7,10-11H,1-5,8-9,12H2,(H,18,20)
InChIKeyHRJHPHZVJKNJNP-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.19
Rot. Bonds5

About N-(cyclooctylideneamino)-2-(2-nitrophenoxy)acetamide

N-(cyclooctylideneamino)-2-(2-nitrophenoxy)acetamide (PubChem CID 9467129) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(cyclooctylideneamino)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(cyclooctylideneamino)-2-(2-nitrophenoxy)acetamide
PubChem CID9467129
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC NameN-(cyclooctylideneamino)-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NN=C1CCCCCCC1
InChIInChI=1S/C16H21N3O4/c20-16(18-17-13-8-4-2-1-3-5-9-13)12-23-15-11-7-6-10-14(15)19(21)22/h6-7,10-11H,1-5,8-9,12H2,(H,18,20)
InChIKeyHRJHPHZVJKNJNP-UHFFFAOYSA-N
XLogP3.19
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.19
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-(cyclododecylideneamino)-2-(2-nitrophenoxy)acetamide
CID 4569271
N-(cyclohexylideneamino)-2-(2-nitrophenoxy)acetamide
CID 9467120
N-(cyclododecylideneamino)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 5243847
N-(cyclododecylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
CID 54785656
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-nitrophenoxy)acetamide
CID 9467244
2-(2-nitrophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide
CID 2847875
N-[(Z)-1-(2-methylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9466904
N-(cyclohexylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 5062453
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136757938
N-(2-nitrophenoxy)cycloheptanimine
CID 54392329
2-(2-nitrophenoxy)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
CID 26157880

Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylideneamino)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(cyclooctylideneamino)-2-(2-nitrophenoxy)acetamide (CID 9467129) is N-(cyclooctylideneamino)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(cyclooctylideneamino)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(cyclooctylideneamino)-2-(2-nitrophenoxy)acetamide is O=C(COc1ccccc1[N+](=O)[O-])NN=C1CCCCCCC1.
What is the InChIKey of N-(cyclooctylideneamino)-2-(2-nitrophenoxy)acetamide?
The InChIKey is HRJHPHZVJKNJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c20-16(18-17-13-8-4-2-1-3-5-9-13)12-23-15-11-7-6-10-14(15)19(21)22/h6-7,10-11H,1-5,8-9,12H2,(H,18,20).
What are the key properties of N-(cyclooctylideneamino)-2-(2-nitrophenoxy)acetamide?
N-(cyclooctylideneamino)-2-(2-nitrophenoxy)acetamide has a molecular weight of 319.36 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclooctylideneamino)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 9467129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).