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

C22H27NO6 — CID 46469688

IUPAC3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ccc(OCC3CCCO3)cc2)cc(OC)c1OC
InChIInChI=1S/C22H27NO6/c1-25-19-11-16(12-20(26-2)21(19)27-3)22(24)23-13-15-6-8-17(9-7-15)29-14-18-5-4-10-28-18/h6-9,11-12,18H,4-5,10,13-14H2,1-3H3,(H,23,24)
InChIKeyGLCHKYZGTOAPOJ-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.20
Rot. Bonds9

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

3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide (PubChem CID 46469688) has the molecular formula C22H27NO6 and a molecular weight of 401.46 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
PubChem CID46469688
Molecular FormulaC22H27NO6
Molecular Weight401.46 g/mol
Exact Mass401.18
IUPAC Name3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ccc(OCC3CCCO3)cc2)cc(OC)c1OC
InChIInChI=1S/C22H27NO6/c1-25-19-11-16(12-20(26-2)21(19)27-3)22(24)23-13-15-6-8-17(9-7-15)29-14-18-5-4-10-28-18/h6-9,11-12,18H,4-5,10,13-14H2,1-3H3,(H,23,24)
InChIKeyGLCHKYZGTOAPOJ-UHFFFAOYSA-N
XLogP3.20
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 134023779
3,5-dimethyl-N-[2-oxo-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]ethyl]benzamide
CID 46469090
3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide
CID 4958021
5-methyl-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 94025887
N-(2-amino-2-oxoethyl)-4-[[[4-(oxolan-2-ylmethoxy)benzoyl]amino]methyl]benzamide
CID 46494621
2-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 46466581
4-(oxolan-2-ylmethoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 46560251
2-(3-fluorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 42961557
4-[[(2R)-oxolan-2-yl]methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 41412055
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-phenoxyacetamide
CID 42961546
5-chloro-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 46481831
2-(2-chlorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 42961556

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide (CID 46469688) is 3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide is COc1cc(C(=O)NCc2ccc(OCC3CCCO3)cc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide?
The InChIKey is GLCHKYZGTOAPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO6/c1-25-19-11-16(12-20(26-2)21(19)27-3)22(24)23-13-15-6-8-17(9-7-15)29-14-18-5-4-10-28-18/h6-9,11-12,18H,4-5,10,13-14H2,1-3H3,(H,23,24).
What are the key properties of 3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide?
3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide has a molecular weight of 401.46 g/mol, XLogP of 3.20, 9 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-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 46469688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).