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

C22H21NO4 — CID 54790493

IUPAC2,4-dimethoxy-N-(3-phenylmethoxyphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(OCc3ccccc3)c2)c(OC)c1
InChIInChI=1S/C22H21NO4/c1-25-18-11-12-20(21(14-18)26-2)22(24)23-17-9-6-10-19(13-17)27-15-16-7-4-3-5-8-16/h3-14H,15H2,1-2H3,(H,23,24)
InChIKeyQRYHHCNNVJQVBP-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.54
Rot. Bonds7

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

2,4-dimethoxy-N-(3-phenylmethoxyphenyl)benzamide (PubChem CID 54790493) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(3-phenylmethoxyphenyl)benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-(3-phenylmethoxyphenyl)benzamide
PubChem CID54790493
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name2,4-dimethoxy-N-(3-phenylmethoxyphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(OCc3ccccc3)c2)c(OC)c1
InChIInChI=1S/C22H21NO4/c1-25-18-11-12-20(21(14-18)26-2)22(24)23-17-9-6-10-19(13-17)27-15-16-7-4-3-5-8-16/h3-14H,15H2,1-2H3,(H,23,24)
InChIKeyQRYHHCNNVJQVBP-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

N-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69249899
2,4-dimethoxy-N-(3-propoxyphenyl)benzamide
CID 34372962
N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69250543
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2,4-dimethoxybenzamide
CID 56530511
2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 17086084
2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 760215
2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 27650117
2-hydroxy-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 27167303
3-[[3-[(2,4-dimethoxybenzoyl)amino]phenyl]methylsulfanyl]propanoic acid
CID 119241227
2-methoxy-N-[4-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]benzamide
CID 18224632
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(3-phenylmethoxyphenyl)benzamide?
The IUPAC name of 2,4-dimethoxy-N-(3-phenylmethoxyphenyl)benzamide (CID 54790493) is 2,4-dimethoxy-N-(3-phenylmethoxyphenyl)benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-(3-phenylmethoxyphenyl)benzamide?
The canonical SMILES for 2,4-dimethoxy-N-(3-phenylmethoxyphenyl)benzamide is COc1ccc(C(=O)Nc2cccc(OCc3ccccc3)c2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-(3-phenylmethoxyphenyl)benzamide?
The InChIKey is QRYHHCNNVJQVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-25-18-11-12-20(21(14-18)26-2)22(24)23-17-9-6-10-19(13-17)27-15-16-7-4-3-5-8-16/h3-14H,15H2,1-2H3,(H,23,24).
What are the key properties of 2,4-dimethoxy-N-(3-phenylmethoxyphenyl)benzamide?
2,4-dimethoxy-N-(3-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 2,4-dimethoxy-N-(3-phenylmethoxyphenyl)benzamide is sourced from PubChem (CID 54790493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).