N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-methylbenzamide

C17H22N2O — CID 3604232

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-methylbenzamide
SMILESCC(=NNC(=O)c1ccccc1C)C1CC2CCC1C2
InChIInChI=1S/C17H22N2O/c1-11-5-3-4-6-15(11)17(20)19-18-12(2)16-10-13-7-8-14(16)9-13/h3-6,13-14,16H,7-10H2,1-2H3,(H,19,20)
InChIKeyAILAATNAUABHAM-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.54
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-methylbenzamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-methylbenzamide (PubChem CID 3604232) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-methylbenzamide
PubChem CID3604232
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-methylbenzamide
SMILESCC(=NNC(=O)c1ccccc1C)C1CC2CCC1C2
InChIInChI=1S/C17H22N2O/c1-11-5-3-4-6-15(11)17(20)19-18-12(2)16-10-13-7-8-14(16)9-13/h3-6,13-14,16H,7-10H2,1-2H3,(H,19,20)
InChIKeyAILAATNAUABHAM-UHFFFAOYSA-N
XLogP3.54
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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]-2-hydroxybenzamide
CID 98659475
N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-fluorobenzamide
CID 4149105
N-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2,4-dichlorobenzamide
CID 129439872
N-[(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2,4-dichlorobenzamide
CID 6949140
N-[(Z)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3-bromobenzamide
CID 11895622
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide
CID 958830
N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-4-nitrobenzamide
CID 98743453
N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3,4-dimethoxybenzamide
CID 7459310
N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]butanediamide
CID 3254874
N-[(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3,4,5-trimethoxybenzamide
CID 7256309
ethyl N-[(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]carbamate
CID 7112571
(1R,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11878067

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-methylbenzamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-methylbenzamide (CID 3604232) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-methylbenzamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-methylbenzamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-methylbenzamide is CC(=NNC(=O)c1ccccc1C)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-methylbenzamide?
The InChIKey is AILAATNAUABHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11-5-3-4-6-15(11)17(20)19-18-12(2)16-10-13-7-8-14(16)9-13/h3-6,13-14,16H,7-10H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-methylbenzamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-methylbenzamide has a molecular weight of 270.38 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-methylbenzamide is sourced from PubChem (CID 3604232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).