N-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide

C23H23NO5 — CID 54781369

IUPACN-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1OC
InChIInChI=1S/C23H23NO5/c1-26-21-13-10-18(16-22(21)27-2)24-23(25)17-8-11-20(12-9-17)29-15-14-28-19-6-4-3-5-7-19/h3-13,16H,14-15H2,1-2H3,(H,24,25)
InChIKeyRNBXYWOCLRKFKP-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.41
Rot. Bonds9

About N-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide

N-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide (PubChem CID 54781369) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
PubChem CID54781369
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC NameN-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1OC
InChIInChI=1S/C23H23NO5/c1-26-21-13-10-18(16-22(21)27-2)24-23(25)17-8-11-20(12-9-17)29-15-14-28-19-6-4-3-5-7-19/h3-13,16H,14-15H2,1-2H3,(H,24,25)
InChIKeyRNBXYWOCLRKFKP-UHFFFAOYSA-N
XLogP4.41
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
4-(2-methoxyethoxy)-N-naphthalen-2-ylbenzamide
CID 17232007
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
CID 17123567
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
4-(2-phenoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17188307
N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide
CID 17169886
1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049317
N-(3-fluorophenyl)-4-(2-phenoxyethoxy)benzamide
CID 54788417
4-methoxy-N-[2-methoxy-5-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 46323186

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide (CID 54781369) is N-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide is COc1ccc(NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide?
The InChIKey is RNBXYWOCLRKFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c1-26-21-13-10-18(16-22(21)27-2)24-23(25)17-8-11-20(12-9-17)29-15-14-28-19-6-4-3-5-7-19/h3-13,16H,14-15H2,1-2H3,(H,24,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide?
N-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide has a molecular weight of 393.44 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 54781369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).