N-[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4-dimethoxybenzamide

C16H20N2O3 — CID 98504378

IUPACN-[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C2/C[C@H]3CC[C@H]2C3)cc1OC
InChIInChI=1S/C16H20N2O3/c1-20-14-6-5-12(9-15(14)21-2)16(19)18-17-13-8-10-3-4-11(13)7-10/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,18,19)/b17-13-/t10-,11-/m0/s1
InChIKeyVYBBBOSWYNVACK-PDFAESPNSA-N
MW288.35 g/mol
LogP2.61
Rot. Bonds4

About N-[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4-dimethoxybenzamide

N-[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4-dimethoxybenzamide (PubChem CID 98504378) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4-dimethoxybenzamide
PubChem CID98504378
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C2/C[C@H]3CC[C@H]2C3)cc1OC
InChIInChI=1S/C16H20N2O3/c1-20-14-6-5-12(9-15(14)21-2)16(19)18-17-13-8-10-3-4-11(13)7-10/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,18,19)/b17-13-/t10-,11-/m0/s1
InChIKeyVYBBBOSWYNVACK-PDFAESPNSA-N
XLogP2.61
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4-dimethoxybenzamide
CID 129431197
N-[(E)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4,5-trimethoxybenzamide
CID 7308879
N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methylbenzamide
CID 4141533
N-[[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-4-hydroxybenzamide
CID 129431579
3,4-dimethoxy-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 9232770
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3,4-dimethoxybenzamide
CID 9232780
N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-3,4-dimethoxybenzamide
CID 7449031
N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3,4-dimethoxybenzamide
CID 7459310
N,N'-bis[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]oxamide
CID 98829133
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide
CID 6952784
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide
CID 11907103
3,4-dimethoxy-N-[(Z)-(3-oxoinden-1-ylidene)amino]benzamide
CID 6027685

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4-dimethoxybenzamide (CID 98504378) is N-[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4-dimethoxybenzamide is COc1ccc(C(=O)N/N=C2/C[C@H]3CC[C@H]2C3)cc1OC.
What is the InChIKey of N-[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4-dimethoxybenzamide?
The InChIKey is VYBBBOSWYNVACK-PDFAESPNSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-20-14-6-5-12(9-15(14)21-2)16(19)18-17-13-8-10-3-4-11(13)7-10/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,18,19)/b17-13-/t10-,11-/m0/s1.
What are the key properties of N-[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4-dimethoxybenzamide?
N-[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4-dimethoxybenzamide has a molecular weight of 288.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4-dimethoxybenzamide is sourced from PubChem (CID 98504378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).