2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide

C22H21NO4 — CID 27650117

IUPAC2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1OC
InChIInChI=1S/C22H21NO4/c1-25-20-10-6-9-19(21(20)26-2)22(24)23-17-11-13-18(14-12-17)27-15-16-7-4-3-5-8-16/h3-14H,15H2,1-2H3,(H,23,24)
InChIKeyHXJXWUFNZYQITE-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.54
Rot. Bonds7

About 2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide

2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide (PubChem CID 27650117) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is 2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
PubChem CID27650117
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1OC
InChIInChI=1S/C22H21NO4/c1-25-20-10-6-9-19(21(20)26-2)22(24)23-17-11-13-18(14-12-17)27-15-16-7-4-3-5-8-16/h3-14H,15H2,1-2H3,(H,23,24)
InChIKeyHXJXWUFNZYQITE-UHFFFAOYSA-N
XLogP4.54
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 912370
N-(4-phenylmethoxyphenyl)naphthalene-1-carboxamide
CID 1336313
2-(2,6-dimethoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 7612423
2,3-dimethoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55474623
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
2-methoxy-N-(4-methoxyphenyl)-6-phenylmethoxybenzamide
CID 44762771
2-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1328288
2,4,5-trimethyl-N-(4-phenylmethoxyphenyl)benzamide
CID 100708399
2-iodo-N-(4-phenylmethoxyphenyl)benzamide
CID 615692
2-[(4-phenylmethoxyphenyl)carbamoyl]benzoate
CID 7033170
2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130159

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide?
The IUPAC name of 2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide (CID 27650117) is 2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide?
The canonical SMILES for 2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide is COc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide?
The InChIKey is HXJXWUFNZYQITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-25-20-10-6-9-19(21(20)26-2)22(24)23-17-11-13-18(14-12-17)27-15-16-7-4-3-5-8-16/h3-14H,15H2,1-2H3,(H,23,24).
What are the key properties of 2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide?
2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide has a molecular weight of 363.41 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide is sourced from PubChem (CID 27650117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).