N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-nitrophenyl)acetamide

C17H21N3O3 — CID 3296088

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-nitrophenyl)acetamide
SMILESCC(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC2CCC1C2
InChIInChI=1S/C17H21N3O3/c1-11(16-9-13-2-5-14(16)8-13)18-19-17(21)10-12-3-6-15(7-4-12)20(22)23/h3-4,6-7,13-14,16H,2,5,8-10H2,1H3,(H,19,21)
InChIKeyWJZYVSLLOSZEAC-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.07
Rot. Bonds5

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-nitrophenyl)acetamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-nitrophenyl)acetamide (PubChem CID 3296088) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-nitrophenyl)acetamide
PubChem CID3296088
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-nitrophenyl)acetamide
SMILESCC(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC2CCC1C2
InChIInChI=1S/C17H21N3O3/c1-11(16-9-13-2-5-14(16)8-13)18-19-17(21)10-12-3-6-15(7-4-12)20(22)23/h3-4,6-7,13-14,16H,2,5,8-10H2,1H3,(H,19,21)
InChIKeyWJZYVSLLOSZEAC-UHFFFAOYSA-N
XLogP3.07
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-4-nitrobenzamide
CID 98743453
N-[1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 129440050
N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 7308856
N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-2-(4-nitrophenyl)acetamide
CID 6090239
N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-chlorophenoxy)acetamide
CID 3454323
N-[(Z)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-4-propylbenzenesulfonamide
CID 98299925
N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-hydroxybenzamide
CID 98659475
N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885
N-(1-naphthalen-2-ylethylideneamino)-2-(4-nitrophenyl)acetamide
CID 5201296
ethyl N-[(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]carbamate
CID 7112571
N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-fluorobenzamide
CID 4149105
N-[(E)-(2-methylcyclohexylidene)amino]-2-(4-nitrophenyl)acetamide
CID 6384080

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-nitrophenyl)acetamide (CID 3296088) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-nitrophenyl)acetamide is CC(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-nitrophenyl)acetamide?
The InChIKey is WJZYVSLLOSZEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11(16-9-13-2-5-14(16)8-13)18-19-17(21)10-12-3-6-15(7-4-12)20(22)23/h3-4,6-7,13-14,16H,2,5,8-10H2,1H3,(H,19,21).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-nitrophenyl)acetamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-nitrophenyl)acetamide has a molecular weight of 315.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 3296088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).