3,4-dimethoxy-N-[2-(3-phenoxyphenoxy)ethyl]benzamide

C23H23NO5 — CID 4065417

IUPAC3,4-dimethoxy-N-[2-(3-phenoxyphenoxy)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCOc2cccc(Oc3ccccc3)c2)cc1OC
InChIInChI=1S/C23H23NO5/c1-26-21-12-11-17(15-22(21)27-2)23(25)24-13-14-28-19-9-6-10-20(16-19)29-18-7-4-3-5-8-18/h3-12,15-16H,13-14H2,1-2H3,(H,24,25)
InChIKeyJUPBSBFFEQUASD-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.30
Rot. Bonds9

About 3,4-dimethoxy-N-[2-(3-phenoxyphenoxy)ethyl]benzamide

3,4-dimethoxy-N-[2-(3-phenoxyphenoxy)ethyl]benzamide (PubChem CID 4065417) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(3-phenoxyphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(3-phenoxyphenoxy)ethyl]benzamide
PubChem CID4065417
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name3,4-dimethoxy-N-[2-(3-phenoxyphenoxy)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCOc2cccc(Oc3ccccc3)c2)cc1OC
InChIInChI=1S/C23H23NO5/c1-26-21-12-11-17(15-22(21)27-2)23(25)24-13-14-28-19-9-6-10-20(16-19)29-18-7-4-3-5-8-18/h3-12,15-16H,13-14H2,1-2H3,(H,24,25)
InChIKeyJUPBSBFFEQUASD-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
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-methoxy-3-methyl-N-(2-phenoxyethyl)benzamide
CID 100543454
N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
CID 94051659
3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 31916381
3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide
CID 55431173
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
N-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide
CID 2173279
3-(difluoromethoxy)-4-methoxy-N-(3-phenoxypropyl)benzamide
CID 55739120
N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840
6-methoxy-N-(2-phenoxyethyl)naphthalene-2-carboxamide
CID 5302937
3,4-dimethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]benzamide
CID 99099115
3-fluoro-4-methoxy-N-(2-naphthalen-2-yloxyethyl)benzamide
CID 26976673
4-cyclopentyloxy-3-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 55792742

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(3-phenoxyphenoxy)ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(3-phenoxyphenoxy)ethyl]benzamide (CID 4065417) is 3,4-dimethoxy-N-[2-(3-phenoxyphenoxy)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(3-phenoxyphenoxy)ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(3-phenoxyphenoxy)ethyl]benzamide is COc1ccc(C(=O)NCCOc2cccc(Oc3ccccc3)c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-(3-phenoxyphenoxy)ethyl]benzamide?
The InChIKey is JUPBSBFFEQUASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c1-26-21-12-11-17(15-22(21)27-2)23(25)24-13-14-28-19-9-6-10-20(16-19)29-18-7-4-3-5-8-18/h3-12,15-16H,13-14H2,1-2H3,(H,24,25).
What are the key properties of 3,4-dimethoxy-N-[2-(3-phenoxyphenoxy)ethyl]benzamide?
3,4-dimethoxy-N-[2-(3-phenoxyphenoxy)ethyl]benzamide has a molecular weight of 393.44 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(3-phenoxyphenoxy)ethyl]benzamide is sourced from PubChem (CID 4065417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).