4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide

C28H32N2O6 — CID 17113406

IUPAC4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide
SMILESCCOCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(OCCOCC)cc3)cc2)cc1
InChIInChI=1S/C28H32N2O6/c1-3-33-17-19-35-25-13-5-21(6-14-25)27(31)29-23-9-11-24(12-10-23)30-28(32)22-7-15-26(16-8-22)36-20-18-34-4-2/h5-16H,3-4,17-20H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyQJFHMPPSMBDPGO-UHFFFAOYSA-N
MW492.57 g/mol
LogP5.02
Rot. Bonds14

About 4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide

4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide (PubChem CID 17113406) has the molecular formula C28H32N2O6 and a molecular weight of 492.57 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide
PubChem CID17113406
Molecular FormulaC28H32N2O6
Molecular Weight492.57 g/mol
Exact Mass492.23
IUPAC Name4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide
SMILESCCOCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(OCCOCC)cc3)cc2)cc1
InChIInChI=1S/C28H32N2O6/c1-3-33-17-19-35-25-13-5-21(6-14-25)27(31)29-23-9-11-24(12-10-23)30-28(32)22-7-15-26(16-8-22)36-20-18-34-4-2/h5-16H,3-4,17-20H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyQJFHMPPSMBDPGO-UHFFFAOYSA-N
XLogP5.02
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.57
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-benzamidophenyl)-4-(2-ethoxyethoxy)benzamide
CID 17235471
N-[4-(2-ethoxyethoxy)phenyl]-4-propan-2-yloxybenzamide
CID 17130636
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide
CID 54301804
4-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-methyl-N-phenylbenzamide
CID 17230295
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide
CID 17130787
4-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide
CID 43887636
4-(2-ethoxyethoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17112535
N-[3-(2-ethoxyethoxy)phenyl]-4-propoxybenzamide
CID 19628765
4-(2-ethoxyethoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17112691
N-(4-benzamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17235482

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide?
The IUPAC name of 4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide (CID 17113406) is 4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide.
What is the SMILES notation for 4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide?
The canonical SMILES for 4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide is CCOCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(OCCOCC)cc3)cc2)cc1.
What is the InChIKey of 4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide?
The InChIKey is QJFHMPPSMBDPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O6/c1-3-33-17-19-35-25-13-5-21(6-14-25)27(31)29-23-9-11-24(12-10-23)30-28(32)22-7-15-26(16-8-22)36-20-18-34-4-2/h5-16H,3-4,17-20H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of 4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide?
4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide has a molecular weight of 492.57 g/mol, XLogP of 5.02, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide is sourced from PubChem (CID 17113406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).