3,4,5-trimethoxy-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzamide

C25H26N2O5 — CID 17320425

IUPAC3,4,5-trimethoxy-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C25H26N2O5/c1-16-9-11-17(12-10-16)15-26-25(29)19-7-5-6-8-20(19)27-24(28)18-13-21(30-2)23(32-4)22(14-18)31-3/h5-14H,15H2,1-4H3,(H,26,29)(H,27,28)
InChIKeyBQLYFHOMUMSGPH-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.20
Rot. Bonds8

About 3,4,5-trimethoxy-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzamide

3,4,5-trimethoxy-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzamide (PubChem CID 17320425) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzamide
PubChem CID17320425
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Name3,4,5-trimethoxy-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C25H26N2O5/c1-16-9-11-17(12-10-16)15-26-25(29)19-7-5-6-8-20(19)27-24(28)18-13-21(30-2)23(32-4)22(14-18)31-3/h5-14H,15H2,1-4H3,(H,26,29)(H,27,28)
InChIKeyBQLYFHOMUMSGPH-UHFFFAOYSA-N
XLogP4.20
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 2803194
N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 4094581
3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875
N-[(4-methoxyphenyl)methyl]-2-[(3-methylbenzoyl)amino]benzamide
CID 26549729
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 55759450
2-[[2-(3-methoxyphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 112787422
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 52891720
3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]-N-naphthalen-1-ylbenzamide
CID 4539305
2-[[2-(3-fluoro-4-methoxyanilino)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55897755
N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 126008403
2-amino-3,4,5-trimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 110181256

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzamide (CID 17320425) is 3,4,5-trimethoxy-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzamide is COc1cc(C(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzamide?
The InChIKey is BQLYFHOMUMSGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-16-9-11-17(12-10-16)15-26-25(29)19-7-5-6-8-20(19)27-24(28)18-13-21(30-2)23(32-4)22(14-18)31-3/h5-14H,15H2,1-4H3,(H,26,29)(H,27,28).
What are the key properties of 3,4,5-trimethoxy-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzamide?
3,4,5-trimethoxy-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzamide has a molecular weight of 434.49 g/mol, XLogP of 4.20, 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-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzamide is sourced from PubChem (CID 17320425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).