N-(2-bicyclo[2.2.1]heptanylideneamino)-3-methoxybenzamide

C15H18N2O2 — CID 4123679

IUPACN-(2-bicyclo[2.2.1]heptanylideneamino)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NN=C2CC3CCC2C3)c1
InChIInChI=1S/C15H18N2O2/c1-19-13-4-2-3-12(9-13)15(18)17-16-14-8-10-5-6-11(14)7-10/h2-4,9-11H,5-8H2,1H3,(H,17,18)
InChIKeyDDFXZNFQISCFDQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.60
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylideneamino)-3-methoxybenzamide

N-(2-bicyclo[2.2.1]heptanylideneamino)-3-methoxybenzamide (PubChem CID 4123679) 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)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylideneamino)-3-methoxybenzamide
PubChem CID4123679
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(2-bicyclo[2.2.1]heptanylideneamino)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NN=C2CC3CCC2C3)c1
InChIInChI=1S/C15H18N2O2/c1-19-13-4-2-3-12(9-13)15(18)17-16-14-8-10-5-6-11(14)7-10/h2-4,9-11H,5-8H2,1H3,(H,17,18)
InChIKeyDDFXZNFQISCFDQ-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)-4-methoxybenzamide
CID 4251233
N-[(E)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-4-(dimethylamino)benzamide
CID 28742334
N-(cycloheptylideneamino)-3-methoxybenzamide
CID 3610862
N-cyclopropyl-3-methoxybenzamide
CID 900156
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
3-methoxy-N-(1-phenylethylideneamino)benzamide
CID 955694
N-(butylideneamino)-3-methoxybenzamide
CID 4229837
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-methoxybenzamide
CID 134797678
3-methoxy-N-(2-oxoazepan-3-yl)benzamide
CID 15069514

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylideneamino)-3-methoxybenzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylideneamino)-3-methoxybenzamide (CID 4123679) is N-(2-bicyclo[2.2.1]heptanylideneamino)-3-methoxybenzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylideneamino)-3-methoxybenzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylideneamino)-3-methoxybenzamide is COc1cccc(C(=O)NN=C2CC3CCC2C3)c1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylideneamino)-3-methoxybenzamide?
The InChIKey is DDFXZNFQISCFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-19-13-4-2-3-12(9-13)15(18)17-16-14-8-10-5-6-11(14)7-10/h2-4,9-11H,5-8H2,1H3,(H,17,18).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylideneamino)-3-methoxybenzamide?
N-(2-bicyclo[2.2.1]heptanylideneamino)-3-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)-3-methoxybenzamide is sourced from PubChem (CID 4123679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).