N-(cyclohexylideneamino)-2-(2-nitrophenoxy)acetamide

C14H17N3O4 — CID 9467120

IUPACN-(cyclohexylideneamino)-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NN=C1CCCCC1
InChIInChI=1S/C14H17N3O4/c18-14(16-15-11-6-2-1-3-7-11)10-21-13-9-5-4-8-12(13)17(19)20/h4-5,8-9H,1-3,6-7,10H2,(H,16,18)
InChIKeyNIGSECSCGZHAIL-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.41
Rot. Bonds5

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

N-(cyclohexylideneamino)-2-(2-nitrophenoxy)acetamide (PubChem CID 9467120) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(cyclohexylideneamino)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(cyclohexylideneamino)-2-(2-nitrophenoxy)acetamide
PubChem CID9467120
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC NameN-(cyclohexylideneamino)-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NN=C1CCCCC1
InChIInChI=1S/C14H17N3O4/c18-14(16-15-11-6-2-1-3-7-11)10-21-13-9-5-4-8-12(13)17(19)20/h4-5,8-9H,1-3,6-7,10H2,(H,16,18)
InChIKeyNIGSECSCGZHAIL-UHFFFAOYSA-N
XLogP2.41
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.41
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

N-(cyclododecylideneamino)-2-(2-nitrophenoxy)acetamide
CID 4569271
N-(cyclooctylideneamino)-2-(2-nitrophenoxy)acetamide
CID 9467129
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-(cyclohexylideneamino)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(cyclohexylideneamino)-2-(2-nitrophenoxy)acetamide (CID 9467120) is N-(cyclohexylideneamino)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(cyclohexylideneamino)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(cyclohexylideneamino)-2-(2-nitrophenoxy)acetamide is O=C(COc1ccccc1[N+](=O)[O-])NN=C1CCCCC1.
What is the InChIKey of N-(cyclohexylideneamino)-2-(2-nitrophenoxy)acetamide?
The InChIKey is NIGSECSCGZHAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c18-14(16-15-11-6-2-1-3-7-11)10-21-13-9-5-4-8-12(13)17(19)20/h4-5,8-9H,1-3,6-7,10H2,(H,16,18).
What are the key properties of N-(cyclohexylideneamino)-2-(2-nitrophenoxy)acetamide?
N-(cyclohexylideneamino)-2-(2-nitrophenoxy)acetamide has a molecular weight of 291.31 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 9467120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).