N-(4-benzamidophenyl)-4-butoxybenzamide

C24H24N2O3 — CID 17235408

IUPACN-(4-benzamidophenyl)-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H24N2O3/c1-2-3-17-29-22-15-9-19(10-16-22)24(28)26-21-13-11-20(12-14-21)25-23(27)18-7-5-4-6-8-18/h4-16H,2-3,17H2,1H3,(H,25,27)(H,26,28)
InChIKeyPIQYSTPAVWZIOU-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.37
Rot. Bonds8

About N-(4-benzamidophenyl)-4-butoxybenzamide

N-(4-benzamidophenyl)-4-butoxybenzamide (PubChem CID 17235408) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(4-benzamidophenyl)-4-butoxybenzamide.

Molecular Properties

Compound NameN-(4-benzamidophenyl)-4-butoxybenzamide
PubChem CID17235408
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-(4-benzamidophenyl)-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H24N2O3/c1-2-3-17-29-22-15-9-19(10-16-22)24(28)26-21-13-11-20(12-14-21)25-23(27)18-7-5-4-6-8-18/h4-16H,2-3,17H2,1H3,(H,25,27)(H,26,28)
InChIKeyPIQYSTPAVWZIOU-UHFFFAOYSA-N
XLogP5.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-pentoxyphenyl)-4-phenoxybenzamide
CID 5048433
4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130195
4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17066999
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
N-(4-anilinophenyl)-4-propoxybenzamide
CID 4938354
N-(4-benzamidophenyl)-4-(2-ethoxyethoxy)benzamide
CID 17235471
4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 4950725
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
sodium 4-[(4-butoxybenzoyl)amino]benzoate
CID 23690385
N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide
CID 43887413

Frequently Asked Questions

What is the IUPAC name of N-(4-benzamidophenyl)-4-butoxybenzamide?
The IUPAC name of N-(4-benzamidophenyl)-4-butoxybenzamide (CID 17235408) is N-(4-benzamidophenyl)-4-butoxybenzamide.
What is the SMILES notation for N-(4-benzamidophenyl)-4-butoxybenzamide?
The canonical SMILES for N-(4-benzamidophenyl)-4-butoxybenzamide is CCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-benzamidophenyl)-4-butoxybenzamide?
The InChIKey is PIQYSTPAVWZIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-2-3-17-29-22-15-9-19(10-16-22)24(28)26-21-13-11-20(12-14-21)25-23(27)18-7-5-4-6-8-18/h4-16H,2-3,17H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-(4-benzamidophenyl)-4-butoxybenzamide?
N-(4-benzamidophenyl)-4-butoxybenzamide has a molecular weight of 388.47 g/mol, XLogP of 5.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamidophenyl)-4-butoxybenzamide is sourced from PubChem (CID 17235408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).