N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-3,4-dimethoxybenzamide

C25H26N2O5 — CID 108935771

IUPACN-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(=O)COc3ccc(C)cc3C)cc2)cc1OC
InChIInChI=1S/C25H26N2O5/c1-16-5-11-21(17(2)13-16)32-15-24(28)26-19-7-9-20(10-8-19)27-25(29)18-6-12-22(30-3)23(14-18)31-4/h5-14H,15H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyUZZHEKHYIVIBLX-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.59
Rot. Bonds8

About N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-3,4-dimethoxybenzamide

N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-3,4-dimethoxybenzamide (PubChem CID 108935771) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-3,4-dimethoxybenzamide
PubChem CID108935771
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC NameN-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(=O)COc3ccc(C)cc3C)cc2)cc1OC
InChIInChI=1S/C25H26N2O5/c1-16-5-11-21(17(2)13-16)32-15-24(28)26-19-7-9-20(10-8-19)27-25(29)18-6-12-22(30-3)23(14-18)31-4/h5-14H,15H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyUZZHEKHYIVIBLX-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-methylbenzamide
CID 17252265
N-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 8744099
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639153
methyl 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 894367
ethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide
CID 54213440
3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4-methoxybenzoic acid
CID 28675994
2-(2,4-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 26239246
3-methoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 9071746
4-tert-butyl-N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235006
N-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
CID 16546266
2-(2,4-dimethylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4500297

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-3,4-dimethoxybenzamide (CID 108935771) is N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(NC(=O)COc3ccc(C)cc3C)cc2)cc1OC.
What is the InChIKey of N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-3,4-dimethoxybenzamide?
The InChIKey is UZZHEKHYIVIBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-16-5-11-21(17(2)13-16)32-15-24(28)26-19-7-9-20(10-8-19)27-25(29)18-6-12-22(30-3)23(14-18)31-4/h5-14H,15H2,1-4H3,(H,26,28)(H,27,29).
What are the key properties of N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-3,4-dimethoxybenzamide?
N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-3,4-dimethoxybenzamide has a molecular weight of 434.49 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 108935771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).