N-(cyclohex-3-en-1-ylmethylideneamino)-3,4,5-triethoxybenzamide

C20H28N2O4 — CID 4284362

IUPACN-(cyclohex-3-en-1-ylmethylideneamino)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NN=CC2CC=CCC2)cc(OCC)c1OCC
InChIInChI=1S/C20H28N2O4/c1-4-24-17-12-16(13-18(25-5-2)19(17)26-6-3)20(23)22-21-14-15-10-8-7-9-11-15/h7-8,12-15H,4-6,9-11H2,1-3H3,(H,22,23)
InChIKeyDFBYNJYNYSHIIE-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.95
Rot. Bonds9

About N-(cyclohex-3-en-1-ylmethylideneamino)-3,4,5-triethoxybenzamide

N-(cyclohex-3-en-1-ylmethylideneamino)-3,4,5-triethoxybenzamide (PubChem CID 4284362) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethylideneamino)-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethylideneamino)-3,4,5-triethoxybenzamide
PubChem CID4284362
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC NameN-(cyclohex-3-en-1-ylmethylideneamino)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NN=CC2CC=CCC2)cc(OCC)c1OCC
InChIInChI=1S/C20H28N2O4/c1-4-24-17-12-16(13-18(25-5-2)19(17)26-6-3)20(23)22-21-14-15-10-8-7-9-11-15/h7-8,12-15H,4-6,9-11H2,1-3H3,(H,22,23)
InChIKeyDFBYNJYNYSHIIE-UHFFFAOYSA-N
XLogP3.95
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(cyclohex-3-en-1-ylmethylideneamino)-4-hydroxy-3-methoxybenzamide
CID 2847710
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-propan-2-yloxybenzamide
CID 9215546
N-(2-bicyclo[2.2.1]heptanylmethylideneamino)-3,4,5-triethoxybenzamide
CID 3472561
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-nitrobenzamide
CID 6544583
N-(cyclohex-3-en-1-ylmethylideneamino)hexanamide
CID 5053331
3,4,5-triethoxy-N-[(4-methylcyclohexylidene)amino]benzamide
CID 5102951
N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]-3,4,5-triethoxybenzamide
CID 6168805
N-[[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3,4,5-triethoxybenzamide
CID 2352270
N-(cyclohex-3-en-1-ylmethylideneamino)-2-naphthalen-2-yloxyacetamide
CID 5202490
3,4,5-triethoxy-N-[(E)-pentan-2-ylideneamino]benzamide
CID 19685354
5-bromo-N-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide
CID 6744568
2-(4-bromophenoxy)-N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]acetamide
CID 7832141

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethylideneamino)-3,4,5-triethoxybenzamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethylideneamino)-3,4,5-triethoxybenzamide (CID 4284362) is N-(cyclohex-3-en-1-ylmethylideneamino)-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethylideneamino)-3,4,5-triethoxybenzamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethylideneamino)-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)NN=CC2CC=CCC2)cc(OCC)c1OCC.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethylideneamino)-3,4,5-triethoxybenzamide?
The InChIKey is DFBYNJYNYSHIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-4-24-17-12-16(13-18(25-5-2)19(17)26-6-3)20(23)22-21-14-15-10-8-7-9-11-15/h7-8,12-15H,4-6,9-11H2,1-3H3,(H,22,23).
What are the key properties of N-(cyclohex-3-en-1-ylmethylideneamino)-3,4,5-triethoxybenzamide?
N-(cyclohex-3-en-1-ylmethylideneamino)-3,4,5-triethoxybenzamide has a molecular weight of 360.45 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethylideneamino)-3,4,5-triethoxybenzamide is sourced from PubChem (CID 4284362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).