3,4,5-trimethoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide

C22H28N2O6 — CID 2236592

IUPAC3,4,5-trimethoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
SMILESCCCCC(=O)Nc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C22H28N2O6/c1-6-7-8-20(25)24-16-10-9-15(13-17(16)27-2)23-22(26)14-11-18(28-3)21(30-5)19(12-14)29-4/h9-13H,6-8H2,1-5H3,(H,23,26)(H,24,25)
InChIKeyYILWXOUVEUDHQG-UHFFFAOYSA-N
MW416.47 g/mol
LogP4.10
Rot. Bonds10

About 3,4,5-trimethoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide

3,4,5-trimethoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide (PubChem CID 2236592) has the molecular formula C22H28N2O6 and a molecular weight of 416.47 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
PubChem CID2236592
Molecular FormulaC22H28N2O6
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC Name3,4,5-trimethoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
SMILESCCCCC(=O)Nc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C22H28N2O6/c1-6-7-8-20(25)24-16-10-9-15(13-17(16)27-2)23-22(26)14-11-18(28-3)21(30-5)19(12-14)29-4/h9-13H,6-8H2,1-5H3,(H,23,26)(H,24,25)
InChIKeyYILWXOUVEUDHQG-UHFFFAOYSA-N
XLogP4.10
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dimethylbenzamide
CID 2210417
4-butoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2932391
4-ethyl-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2993875
2,3,5,6-tetrafluoro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 22778783
N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
CID 5120447
3-chloro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2178714
5-bromo-2-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 21215255
2,3,5,6-tetrafluoro-4-methoxy-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide
CID 17115591
N-[3-methoxy-4-(pentanoylamino)phenyl]-4-methyl-3-nitrobenzamide
CID 3776414
5-bromo-N-[3-methoxy-4-(pentanoylamino)phenyl]furan-2-carboxamide
CID 2933388
N-[4-(methanesulfonamido)-2-methoxyphenyl]pentanamide
CID 134990532
N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide
CID 38661659

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide (CID 2236592) is 3,4,5-trimethoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide is CCCCC(=O)Nc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide?
The InChIKey is YILWXOUVEUDHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6/c1-6-7-8-20(25)24-16-10-9-15(13-17(16)27-2)23-22(26)14-11-18(28-3)21(30-5)19(12-14)29-4/h9-13H,6-8H2,1-5H3,(H,23,26)(H,24,25).
What are the key properties of 3,4,5-trimethoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide?
3,4,5-trimethoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide has a molecular weight of 416.47 g/mol, XLogP of 4.10, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide is sourced from PubChem (CID 2236592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).