4-(4-oxopentoxy)-N-[4-[[4-(4-oxopentoxy)benzoyl]amino]phenyl]benzamide

C30H32N2O6 — CID 23520545

IUPAC4-(4-oxopentoxy)-N-[4-[[4-(4-oxopentoxy)benzoyl]amino]phenyl]benzamide
SMILESCC(=O)CCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(OCCCC(C)=O)cc3)cc2)cc1
InChIInChI=1S/C30H32N2O6/c1-21(33)5-3-19-37-27-15-7-23(8-16-27)29(35)31-25-11-13-26(14-12-25)32-30(36)24-9-17-28(18-10-24)38-20-4-6-22(2)34/h7-18H,3-6,19-20H2,1-2H3,(H,31,35)(H,32,36)
InChIKeyGRYIBDQJRFPTGC-UHFFFAOYSA-N
MW516.59 g/mol
LogP5.69
Rot. Bonds14

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

4-(4-oxopentoxy)-N-[4-[[4-(4-oxopentoxy)benzoyl]amino]phenyl]benzamide (PubChem CID 23520545) has the molecular formula C30H32N2O6 and a molecular weight of 516.59 g/mol. Its IUPAC name is 4-(4-oxopentoxy)-N-[4-[[4-(4-oxopentoxy)benzoyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-(4-oxopentoxy)-N-[4-[[4-(4-oxopentoxy)benzoyl]amino]phenyl]benzamide
PubChem CID23520545
Molecular FormulaC30H32N2O6
Molecular Weight516.59 g/mol
Exact Mass516.23
IUPAC Name4-(4-oxopentoxy)-N-[4-[[4-(4-oxopentoxy)benzoyl]amino]phenyl]benzamide
SMILESCC(=O)CCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(OCCCC(C)=O)cc3)cc2)cc1
InChIInChI=1S/C30H32N2O6/c1-21(33)5-3-19-37-27-15-7-23(8-16-27)29(35)31-25-11-13-26(14-12-25)32-30(36)24-9-17-28(18-10-24)38-20-4-6-22(2)34/h7-18H,3-6,19-20H2,1-2H3,(H,31,35)(H,32,36)
InChIKeyGRYIBDQJRFPTGC-UHFFFAOYSA-N
XLogP5.69
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.59
LogP ≤ 55.69
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

4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
4-[4-(4-acetylphenoxy)butanoylamino]-N-(4-ethoxyphenyl)benzamide
CID 4270360
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
4-[4-[(4-chlorophenyl)carbamoyl]phenoxy]butanoic acid
CID 20984298
methyl 4-(4-oxopentoxy)benzoate
CID 67943009
methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate
CID 17178280
4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide
CID 17113406
sodium 4-[(4-butoxybenzoyl)amino]benzoate
CID 23690385
4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide
CID 17386974
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
N-(4-iodophenyl)-4-pentoxybenzamide
CID 4935000

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxopentoxy)-N-[4-[[4-(4-oxopentoxy)benzoyl]amino]phenyl]benzamide?
The IUPAC name of 4-(4-oxopentoxy)-N-[4-[[4-(4-oxopentoxy)benzoyl]amino]phenyl]benzamide (CID 23520545) is 4-(4-oxopentoxy)-N-[4-[[4-(4-oxopentoxy)benzoyl]amino]phenyl]benzamide.
What is the SMILES notation for 4-(4-oxopentoxy)-N-[4-[[4-(4-oxopentoxy)benzoyl]amino]phenyl]benzamide?
The canonical SMILES for 4-(4-oxopentoxy)-N-[4-[[4-(4-oxopentoxy)benzoyl]amino]phenyl]benzamide is CC(=O)CCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(OCCCC(C)=O)cc3)cc2)cc1.
What is the InChIKey of 4-(4-oxopentoxy)-N-[4-[[4-(4-oxopentoxy)benzoyl]amino]phenyl]benzamide?
The InChIKey is GRYIBDQJRFPTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O6/c1-21(33)5-3-19-37-27-15-7-23(8-16-27)29(35)31-25-11-13-26(14-12-25)32-30(36)24-9-17-28(18-10-24)38-20-4-6-22(2)34/h7-18H,3-6,19-20H2,1-2H3,(H,31,35)(H,32,36).
What are the key properties of 4-(4-oxopentoxy)-N-[4-[[4-(4-oxopentoxy)benzoyl]amino]phenyl]benzamide?
4-(4-oxopentoxy)-N-[4-[[4-(4-oxopentoxy)benzoyl]amino]phenyl]benzamide has a molecular weight of 516.59 g/mol, XLogP of 5.69, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxopentoxy)-N-[4-[[4-(4-oxopentoxy)benzoyl]amino]phenyl]benzamide is sourced from PubChem (CID 23520545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).