N-(4-pentoxyphenyl)-4-phenoxybenzamide

C24H25NO3 — CID 5048433

IUPACN-(4-pentoxyphenyl)-4-phenoxybenzamide
SMILESCCCCCOc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C24H25NO3/c1-2-3-7-18-27-21-16-12-20(13-17-21)25-24(26)19-10-14-23(15-11-19)28-22-8-5-4-6-9-22/h4-6,8-17H,2-3,7,18H2,1H3,(H,25,26)
InChIKeyNQMRKTPGFDEVEN-UHFFFAOYSA-N
MW375.47 g/mol
LogP6.30
Rot. Bonds9

About N-(4-pentoxyphenyl)-4-phenoxybenzamide

N-(4-pentoxyphenyl)-4-phenoxybenzamide (PubChem CID 5048433) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(4-pentoxyphenyl)-4-phenoxybenzamide.

Molecular Properties

Compound NameN-(4-pentoxyphenyl)-4-phenoxybenzamide
PubChem CID5048433
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC NameN-(4-pentoxyphenyl)-4-phenoxybenzamide
SMILESCCCCCOc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C24H25NO3/c1-2-3-7-18-27-21-16-12-20(13-17-21)25-24(26)19-10-14-23(15-11-19)28-22-8-5-4-6-9-22/h4-6,8-17H,2-3,7,18H2,1H3,(H,25,26)
InChIKeyNQMRKTPGFDEVEN-UHFFFAOYSA-N
XLogP6.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 56.30
H-Bond Donors ≤ 51
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-benzamidophenyl)-4-butoxybenzamide
CID 17235408
4-pentoxy-N-[(4-phenoxyphenyl)carbamothioyl]benzamide
CID 4935590
4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 4950725
4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130195
4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17066999
N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide
CID 43887413
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
N-(4-iodophenyl)-4-pentoxybenzamide
CID 4935000
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340246
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625

Frequently Asked Questions

What is the IUPAC name of N-(4-pentoxyphenyl)-4-phenoxybenzamide?
The IUPAC name of N-(4-pentoxyphenyl)-4-phenoxybenzamide (CID 5048433) is N-(4-pentoxyphenyl)-4-phenoxybenzamide.
What is the SMILES notation for N-(4-pentoxyphenyl)-4-phenoxybenzamide?
The canonical SMILES for N-(4-pentoxyphenyl)-4-phenoxybenzamide is CCCCCOc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-pentoxyphenyl)-4-phenoxybenzamide?
The InChIKey is NQMRKTPGFDEVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-2-3-7-18-27-21-16-12-20(13-17-21)25-24(26)19-10-14-23(15-11-19)28-22-8-5-4-6-9-22/h4-6,8-17H,2-3,7,18H2,1H3,(H,25,26).
What are the key properties of N-(4-pentoxyphenyl)-4-phenoxybenzamide?
N-(4-pentoxyphenyl)-4-phenoxybenzamide has a molecular weight of 375.47 g/mol, XLogP of 6.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pentoxyphenyl)-4-phenoxybenzamide is sourced from PubChem (CID 5048433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).