4-[4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]phenoxy]benzamide

C23H22N2O5 — CID 56545946

IUPAC4-[4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]phenoxy]benzamide
SMILESCOCCOc1ccc(NC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)cc1
InChIInChI=1S/C23H22N2O5/c1-28-14-15-29-19-12-6-18(7-13-19)25-23(27)17-4-10-21(11-5-17)30-20-8-2-16(3-9-20)22(24)26/h2-13H,14-15H2,1H3,(H2,24,26)(H,25,27)
InChIKeyQGUPPOIGFZASBD-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.86
Rot. Bonds9

About 4-[4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]phenoxy]benzamide

4-[4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]phenoxy]benzamide (PubChem CID 56545946) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is 4-[4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]phenoxy]benzamide
PubChem CID56545946
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name4-[4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]phenoxy]benzamide
SMILESCOCCOc1ccc(NC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)cc1
InChIInChI=1S/C23H22N2O5/c1-28-14-15-29-19-12-6-18(7-13-19)25-23(27)17-4-10-21(11-5-17)30-20-8-2-16(3-9-20)22(24)26/h2-13H,14-15H2,1H3,(H2,24,26)(H,25,27)
InChIKeyQGUPPOIGFZASBD-UHFFFAOYSA-N
XLogP3.86
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.86
H-Bond Donors ≤ 52
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-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate
CID 17178280
N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide
CID 46441939
4-[[4-(4-carbamoylphenoxy)benzoyl]amino]-N-propylbenzamide
CID 56549078
4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 2994766
N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17340476
4-[4-[(3-propoxyphenyl)carbamoyl]phenoxy]benzamide
CID 56545720
4-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenoxy]benzamide
CID 56548979
N-[4-(diethylamino)phenyl]-4-(2-methoxyethoxy)benzamide
CID 15943191
4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide
CID 17113406
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]phenoxy]benzamide (CID 56545946) is 4-[4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]phenoxy]benzamide is COCCOc1ccc(NC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]phenoxy]benzamide?
The InChIKey is QGUPPOIGFZASBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-28-14-15-29-19-12-6-18(7-13-19)25-23(27)17-4-10-21(11-5-17)30-20-8-2-16(3-9-20)22(24)26/h2-13H,14-15H2,1H3,(H2,24,26)(H,25,27).
What are the key properties of 4-[4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]phenoxy]benzamide?
4-[4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]phenoxy]benzamide has a molecular weight of 406.44 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56545946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).