4-ethoxy-3-methyl-N-(4-phenylmethoxyphenyl)benzamide

C23H23NO3 — CID 30147613

IUPAC4-ethoxy-3-methyl-N-(4-phenylmethoxyphenyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C
InChIInChI=1S/C23H23NO3/c1-3-26-22-14-9-19(15-17(22)2)23(25)24-20-10-12-21(13-11-20)27-16-18-7-5-4-6-8-18/h4-15H,3,16H2,1-2H3,(H,24,25)
InChIKeyNVHORSWCBFWUFP-UHFFFAOYSA-N
MW361.44 g/mol
LogP5.23
Rot. Bonds7

About 4-ethoxy-3-methyl-N-(4-phenylmethoxyphenyl)benzamide

4-ethoxy-3-methyl-N-(4-phenylmethoxyphenyl)benzamide (PubChem CID 30147613) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 4-ethoxy-3-methyl-N-(4-phenylmethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-ethoxy-3-methyl-N-(4-phenylmethoxyphenyl)benzamide
PubChem CID30147613
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name4-ethoxy-3-methyl-N-(4-phenylmethoxyphenyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C
InChIInChI=1S/C23H23NO3/c1-3-26-22-14-9-19(15-17(22)2)23(25)24-20-10-12-21(13-11-20)27-16-18-7-5-4-6-8-18/h4-15H,3,16H2,1-2H3,(H,24,25)
InChIKeyNVHORSWCBFWUFP-UHFFFAOYSA-N
XLogP5.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide
CID 126086097
N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethoxy-3-methylbenzamide
CID 86938312
2,4,5-trimethyl-N-(4-phenylmethoxyphenyl)benzamide
CID 100708399
4-ethoxy-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide
CID 86938203
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676
3-ethoxy-N-(3-hydroxyphenyl)-4-phenylmethoxybenzamide
CID 126089788
3,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 2791610
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 45373757
5-[(4-ethoxyphenyl)carbamoyl]-3-phenylmethoxypyridine-2-carboxylic acid
CID 22923804
N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide
CID 2195613
4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 4950725
4-(cyclohexylmethoxy)-3-methoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779558

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methyl-N-(4-phenylmethoxyphenyl)benzamide?
The IUPAC name of 4-ethoxy-3-methyl-N-(4-phenylmethoxyphenyl)benzamide (CID 30147613) is 4-ethoxy-3-methyl-N-(4-phenylmethoxyphenyl)benzamide.
What is the SMILES notation for 4-ethoxy-3-methyl-N-(4-phenylmethoxyphenyl)benzamide?
The canonical SMILES for 4-ethoxy-3-methyl-N-(4-phenylmethoxyphenyl)benzamide is CCOc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C.
What is the InChIKey of 4-ethoxy-3-methyl-N-(4-phenylmethoxyphenyl)benzamide?
The InChIKey is NVHORSWCBFWUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-3-26-22-14-9-19(15-17(22)2)23(25)24-20-10-12-21(13-11-20)27-16-18-7-5-4-6-8-18/h4-15H,3,16H2,1-2H3,(H,24,25).
What are the key properties of 4-ethoxy-3-methyl-N-(4-phenylmethoxyphenyl)benzamide?
4-ethoxy-3-methyl-N-(4-phenylmethoxyphenyl)benzamide has a molecular weight of 361.44 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methyl-N-(4-phenylmethoxyphenyl)benzamide is sourced from PubChem (CID 30147613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).