N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methoxybenzamide

C15H18N2O2 — CID 4251233

IUPACN-(2-bicyclo[2.2.1]heptanylideneamino)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NN=C2CC3CCC2C3)cc1
InChIInChI=1S/C15H18N2O2/c1-19-13-6-4-11(5-7-13)15(18)17-16-14-9-10-2-3-12(14)8-10/h4-7,10,12H,2-3,8-9H2,1H3,(H,17,18)
InChIKeyJWJUZPQPBVLVHF-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.60
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methoxybenzamide

N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methoxybenzamide (PubChem CID 4251233) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylideneamino)-4-methoxybenzamide
PubChem CID4251233
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(2-bicyclo[2.2.1]heptanylideneamino)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NN=C2CC3CCC2C3)cc1
InChIInChI=1S/C15H18N2O2/c1-19-13-6-4-11(5-7-13)15(18)17-16-14-9-10-2-3-12(14)8-10/h4-7,10,12H,2-3,8-9H2,1H3,(H,17,18)
InChIKeyJWJUZPQPBVLVHF-UHFFFAOYSA-N
XLogP2.60
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-bicyclo[2.2.1]heptanylideneamino)-3-methoxybenzamide
CID 4123679
N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methylbenzamide
CID 4141533
N-[[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4-dimethoxybenzamide
CID 129431197
N-[[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-4-hydroxybenzamide
CID 129431579
N-[(E)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-4-(dimethylamino)benzamide
CID 28742334
N-(2-bicyclo[2.2.1]heptanylideneamino)-4-(dimethylamino)benzamide
CID 3343667
N-[(Z)-[(1R,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-2-methoxybenzamide
CID 98289762
N-[(Z)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-3-chlorobenzamide
CID 40554029
N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methoxybenzamide
CID 7115296
N-[(E)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-2-carboxamide
CID 98475772
N-[(Z)-2-bicyclo[2.2.1]heptanylideneamino]-2-naphthalen-2-yloxyacetamide
CID 6013484
N-(2-adamantylideneamino)-4-propan-2-yloxybenzamide
CID 9215551

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methoxybenzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methoxybenzamide (CID 4251233) is N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methoxybenzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methoxybenzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methoxybenzamide is COc1ccc(C(=O)NN=C2CC3CCC2C3)cc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methoxybenzamide?
The InChIKey is JWJUZPQPBVLVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-19-13-6-4-11(5-7-13)15(18)17-16-14-9-10-2-3-12(14)8-10/h4-7,10,12H,2-3,8-9H2,1H3,(H,17,18).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methoxybenzamide?
N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methoxybenzamide has a molecular weight of 258.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methoxybenzamide is sourced from PubChem (CID 4251233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).