3,4,5-trimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide

C17H26N2O4 — CID 3995777

IUPAC3,4,5-trimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide
SMILESCOc1cc(C(=O)NN=C(C)CCC(C)C)cc(OC)c1OC
InChIInChI=1S/C17H26N2O4/c1-11(2)7-8-12(3)18-19-17(20)13-9-14(21-4)16(23-6)15(10-13)22-5/h9-11H,7-8H2,1-6H3,(H,19,20)
InChIKeyPFSOTODEHJZMPF-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.25
Rot. Bonds8

About 3,4,5-trimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide

3,4,5-trimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide (PubChem CID 3995777) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide
PubChem CID3995777
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name3,4,5-trimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide
SMILESCOc1cc(C(=O)NN=C(C)CCC(C)C)cc(OC)c1OC
InChIInChI=1S/C17H26N2O4/c1-11(2)7-8-12(3)18-19-17(20)13-9-14(21-4)16(23-6)15(10-13)22-5/h9-11H,7-8H2,1-6H3,(H,19,20)
InChIKeyPFSOTODEHJZMPF-UHFFFAOYSA-N
XLogP3.25
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.25
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

3,4-dimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide
CID 5146609
3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6311607
ethyl (2S)-2-ethyl-3-[(3,4,5-trimethoxybenzoyl)hydrazinylidene]butanoate
CID 129449329
ethyl 2-ethyl-3-[(3,4,5-trimethoxybenzoyl)hydrazinylidene]butanoate
CID 3256657
3,4,5-trimethoxy-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]benzamide
CID 9231843
4-[(2,6-dibromo-4-methylphenoxy)methyl]-N-[(Z)-5-methylhexan-2-ylideneamino]benzamide
CID 6293346
3,4,5-triethoxy-N-[(E)-pentan-2-ylideneamino]benzamide
CID 19685354
3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6005452
N-(4-bromobutan-2-yl)-3,4,5-trimethoxybenzamide
CID 83178838
3,4,5-trimethoxy-N-(propylideneamino)benzamide
CID 3317143
N-[(Z)-2-ethylbutylideneamino]-3,4,5-trimethoxybenzamide
CID 9231940
3,4,5-trimethoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 17193980

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide (CID 3995777) is 3,4,5-trimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide is COc1cc(C(=O)NN=C(C)CCC(C)C)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide?
The InChIKey is PFSOTODEHJZMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-11(2)7-8-12(3)18-19-17(20)13-9-14(21-4)16(23-6)15(10-13)22-5/h9-11H,7-8H2,1-6H3,(H,19,20).
What are the key properties of 3,4,5-trimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide?
3,4,5-trimethoxy-N-(5-methylhexan-2-ylideneamino)benzamide has a molecular weight of 322.41 g/mol, XLogP of 3.25, 8 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-(5-methylhexan-2-ylideneamino)benzamide is sourced from PubChem (CID 3995777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).