3-methoxy-2-phenoxy-N-(2-phenoxyethyl)benzamide

C22H21NO4 — CID 44535839

IUPAC3-methoxy-2-phenoxy-N-(2-phenoxyethyl)benzamide
SMILESCOc1cccc(C(=O)NCCOc2ccccc2)c1Oc1ccccc1
InChIInChI=1S/C22H21NO4/c1-25-20-14-8-13-19(21(20)27-18-11-6-3-7-12-18)22(24)23-15-16-26-17-9-4-2-5-10-17/h2-14H,15-16H2,1H3,(H,23,24)
InChIKeyRQFNCWAHHYXKJC-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.30
Rot. Bonds8

About 3-methoxy-2-phenoxy-N-(2-phenoxyethyl)benzamide

3-methoxy-2-phenoxy-N-(2-phenoxyethyl)benzamide (PubChem CID 44535839) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is 3-methoxy-2-phenoxy-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name3-methoxy-2-phenoxy-N-(2-phenoxyethyl)benzamide
PubChem CID44535839
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name3-methoxy-2-phenoxy-N-(2-phenoxyethyl)benzamide
SMILESCOc1cccc(C(=O)NCCOc2ccccc2)c1Oc1ccccc1
InChIInChI=1S/C22H21NO4/c1-25-20-14-8-13-19(21(20)27-18-11-6-3-7-12-18)22(24)23-15-16-26-17-9-4-2-5-10-17/h2-14H,15-16H2,1H3,(H,23,24)
InChIKeyRQFNCWAHHYXKJC-UHFFFAOYSA-N
XLogP4.30
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-phenoxy-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 3-methoxy-2-phenoxy-N-(2-phenoxyethyl)benzamide (CID 44535839) is 3-methoxy-2-phenoxy-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 3-methoxy-2-phenoxy-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 3-methoxy-2-phenoxy-N-(2-phenoxyethyl)benzamide is COc1cccc(C(=O)NCCOc2ccccc2)c1Oc1ccccc1.
What is the InChIKey of 3-methoxy-2-phenoxy-N-(2-phenoxyethyl)benzamide?
The InChIKey is RQFNCWAHHYXKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-25-20-14-8-13-19(21(20)27-18-11-6-3-7-12-18)22(24)23-15-16-26-17-9-4-2-5-10-17/h2-14H,15-16H2,1H3,(H,23,24).
What are the key properties of 3-methoxy-2-phenoxy-N-(2-phenoxyethyl)benzamide?
3-methoxy-2-phenoxy-N-(2-phenoxyethyl)benzamide has a molecular weight of 363.41 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-phenoxy-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 44535839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).