3,4,5-trimethoxy-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide

C22H28N2O5 — CID 55891061

IUPAC3,4,5-trimethoxy-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C22H28N2O5/c1-7-22(2,3)24-21(26)14-8-10-16(11-9-14)23-20(25)15-12-17(27-4)19(29-6)18(13-15)28-5/h8-13H,7H2,1-6H3,(H,23,25)(H,24,26)
InChIKeyWJCQTODIWBQGMM-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.88
Rot. Bonds8

About 3,4,5-trimethoxy-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide

3,4,5-trimethoxy-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide (PubChem CID 55891061) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
PubChem CID55891061
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Name3,4,5-trimethoxy-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C22H28N2O5/c1-7-22(2,3)24-21(26)14-8-10-16(11-9-14)23-20(25)15-12-17(27-4)19(29-6)18(13-15)28-5/h8-13H,7H2,1-6H3,(H,23,25)(H,24,26)
InChIKeyWJCQTODIWBQGMM-UHFFFAOYSA-N
XLogP3.88
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide
CID 3297993
4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 119738238
N-(1-bromo-2-methylpropan-2-yl)-3,4,5-trimethoxybenzamide
CID 114307867
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980351
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide
CID 5167403
3-bromo-5-fluoro-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 55892094
N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide
CID 7913840
3,4,5-trimethoxy-N-[(3S)-3-methylpent-1-yn-3-yl]benzamide
CID 709973
N-(2-cyanobutan-2-yl)-3,4,5-trimethoxybenzamide
CID 51089527
2-[3-[[4-(2-methylbutan-2-ylcarbamoyl)phenyl]carbamoyl]phenoxy]acetic acid
CID 119181827
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-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide (CID 55891061) is 3,4,5-trimethoxy-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide is CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 3,4,5-trimethoxy-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide?
The InChIKey is WJCQTODIWBQGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-7-22(2,3)24-21(26)14-8-10-16(11-9-14)23-20(25)15-12-17(27-4)19(29-6)18(13-15)28-5/h8-13H,7H2,1-6H3,(H,23,25)(H,24,26).
What are the key properties of 3,4,5-trimethoxy-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide?
3,4,5-trimethoxy-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide has a molecular weight of 400.48 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 55891061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).