3,4,5-trimethoxy-N-[4-(oxiran-2-ylmethoxy)phenyl]benzamide

C19H21NO6 — CID 11100457

IUPAC3,4,5-trimethoxy-N-[4-(oxiran-2-ylmethoxy)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(OCC3CO3)cc2)cc(OC)c1OC
InChIInChI=1S/C19H21NO6/c1-22-16-8-12(9-17(23-2)18(16)24-3)19(21)20-13-4-6-14(7-5-13)25-10-15-11-26-15/h4-9,15H,10-11H2,1-3H3,(H,20,21)
InChIKeyFQBQINGLHYIPPL-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.74
Rot. Bonds8

About 3,4,5-trimethoxy-N-[4-(oxiran-2-ylmethoxy)phenyl]benzamide

3,4,5-trimethoxy-N-[4-(oxiran-2-ylmethoxy)phenyl]benzamide (PubChem CID 11100457) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[4-(oxiran-2-ylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[4-(oxiran-2-ylmethoxy)phenyl]benzamide
PubChem CID11100457
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name3,4,5-trimethoxy-N-[4-(oxiran-2-ylmethoxy)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(OCC3CO3)cc2)cc(OC)c1OC
InChIInChI=1S/C19H21NO6/c1-22-16-8-12(9-17(23-2)18(16)24-3)19(21)20-13-4-6-14(7-5-13)25-10-15-11-26-15/h4-9,15H,10-11H2,1-3H3,(H,20,21)
InChIKeyFQBQINGLHYIPPL-UHFFFAOYSA-N
XLogP2.74
TPSA78.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide
CID 4958021
N-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide
CID 737230
3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981189
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
CID 46469688
N-(4-ethynylphenyl)-3,4,5-trimethoxybenzamide
CID 91398084
3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide
CID 3504342
bis[4-(oxiran-2-ylmethoxy)phenyl] 2,5-dimethoxybenzene-1,4-dicarboxylate
CID 101169142
3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980351
3,4,5-trimethoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 17193980
3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)phenyl]benzamide
CID 1150730
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[4-(oxiran-2-ylmethoxy)phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[4-(oxiran-2-ylmethoxy)phenyl]benzamide (CID 11100457) is 3,4,5-trimethoxy-N-[4-(oxiran-2-ylmethoxy)phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[4-(oxiran-2-ylmethoxy)phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[4-(oxiran-2-ylmethoxy)phenyl]benzamide is COc1cc(C(=O)Nc2ccc(OCC3CO3)cc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[4-(oxiran-2-ylmethoxy)phenyl]benzamide?
The InChIKey is FQBQINGLHYIPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-22-16-8-12(9-17(23-2)18(16)24-3)19(21)20-13-4-6-14(7-5-13)25-10-15-11-26-15/h4-9,15H,10-11H2,1-3H3,(H,20,21).
What are the key properties of 3,4,5-trimethoxy-N-[4-(oxiran-2-ylmethoxy)phenyl]benzamide?
3,4,5-trimethoxy-N-[4-(oxiran-2-ylmethoxy)phenyl]benzamide has a molecular weight of 359.38 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[4-(oxiran-2-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 11100457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).