3,4,5-trimethoxy-N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide

C19H26N2O4 — CID 5201233

IUPAC3,4,5-trimethoxy-N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide
SMILESCOc1cc(C(=O)NN=C2C=C(C)CC(C)(C)C2)cc(OC)c1OC
InChIInChI=1S/C19H26N2O4/c1-12-7-14(11-19(2,3)10-12)20-21-18(22)13-8-15(23-4)17(25-6)16(9-13)24-5/h7-9H,10-11H2,1-6H3,(H,21,22)
InChIKeyTVSFVURMXLBKJA-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.56
Rot. Bonds5

About 3,4,5-trimethoxy-N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide

3,4,5-trimethoxy-N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide (PubChem CID 5201233) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide
PubChem CID5201233
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name3,4,5-trimethoxy-N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide
SMILESCOc1cc(C(=O)NN=C2C=C(C)CC(C)(C)C2)cc(OC)c1OC
InChIInChI=1S/C19H26N2O4/c1-12-7-14(11-19(2,3)10-12)20-21-18(22)13-8-15(23-4)17(25-6)16(9-13)24-5/h7-9H,10-11H2,1-6H3,(H,21,22)
InChIKeyTVSFVURMXLBKJA-UHFFFAOYSA-N
XLogP3.56
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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CID 3317143
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CID 7308879
3,4,5-trimethoxy-N-sulfanylbenzamide
CID 59695341
3,4,5-trimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
CID 5031020
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3,4,5-trimethoxybenzamide
CID 6028855
3,4,5-trimethoxy-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]benzamide
CID 9231843
3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6005452
3,4,5-trimethoxy-N-(pyrrolidine-1-carbothioyl)benzamide
CID 916631
3,4,5-trimethoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
CID 55782557
N'-acetyl-3,4,5-trimethoxybenzohydrazide
CID 913637
3,4,5-trimethoxy-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzamide
CID 673811
N-[(Z)-2-ethylbutylideneamino]-3,4,5-trimethoxybenzamide
CID 9231940

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide (CID 5201233) is 3,4,5-trimethoxy-N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide is COc1cc(C(=O)NN=C2C=C(C)CC(C)(C)C2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide?
The InChIKey is TVSFVURMXLBKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-12-7-14(11-19(2,3)10-12)20-21-18(22)13-8-15(23-4)17(25-6)16(9-13)24-5/h7-9H,10-11H2,1-6H3,(H,21,22).
What are the key properties of 3,4,5-trimethoxy-N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide?
3,4,5-trimethoxy-N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide has a molecular weight of 346.43 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide is sourced from PubChem (CID 5201233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).