N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-propan-2-ylbenzamide

C18H22N2O — CID 590348

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NN=CC2CC3C=CC2C3)cc1
InChIInChI=1S/C18H22N2O/c1-12(2)14-5-7-15(8-6-14)18(21)20-19-11-17-10-13-3-4-16(17)9-13/h3-8,11-13,16-17H,9-10H2,1-2H3,(H,20,21)
InChIKeyDSGUKYIQVYQZRD-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.74
Rot. Bonds4

About N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-propan-2-ylbenzamide

N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-propan-2-ylbenzamide (PubChem CID 590348) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-propan-2-ylbenzamide
PubChem CID590348
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NN=CC2CC3C=CC2C3)cc1
InChIInChI=1S/C18H22N2O/c1-12(2)14-5-7-15(8-6-14)18(21)20-19-11-17-10-13-3-4-16(17)9-13/h3-8,11-13,16-17H,9-10H2,1-2H3,(H,20,21)
InChIKeyDSGUKYIQVYQZRD-UHFFFAOYSA-N
XLogP3.74
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-hydroxybenzamide
CID 40554147
N-[(Z)-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]benzamide
CID 98153779
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-(propanoylamino)benzamide
CID 129440279
N-[(Z)-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 18555195
N,N'-bis[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]oxamide
CID 124764212
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-3,4,5-trimethoxybenzamide
CID 3713434
N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-methylfuran-3-carboxamide
CID 5454793
N-[(Z)-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-chloro-2-hydroxybenzamide
CID 98299806
N-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-chloro-2-hydroxybenzamide
CID 100744187
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)naphthalene-1-carboxamide
CID 5122775
N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 7310058
N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 3705620

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-propan-2-ylbenzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-propan-2-ylbenzamide (CID 590348) is N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NN=CC2CC3C=CC2C3)cc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-propan-2-ylbenzamide?
The InChIKey is DSGUKYIQVYQZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12(2)14-5-7-15(8-6-14)18(21)20-19-11-17-10-13-3-4-16(17)9-13/h3-8,11-13,16-17H,9-10H2,1-2H3,(H,20,21).
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-propan-2-ylbenzamide?
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-propan-2-ylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-propan-2-ylbenzamide is sourced from PubChem (CID 590348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).