N-[3-methoxy-4-(pentanoylamino)phenyl]-4-phenylbenzamide

C25H26N2O3 — CID 2179414

IUPACN-[3-methoxy-4-(pentanoylamino)phenyl]-4-phenylbenzamide
SMILESCCCCC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1OC
InChIInChI=1S/C25H26N2O3/c1-3-4-10-24(28)27-22-16-15-21(17-23(22)30-2)26-25(29)20-13-11-19(12-14-20)18-8-6-5-7-9-18/h5-9,11-17H,3-4,10H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyPTKOFGSIPBYUDA-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.74
Rot. Bonds8

About N-[3-methoxy-4-(pentanoylamino)phenyl]-4-phenylbenzamide

N-[3-methoxy-4-(pentanoylamino)phenyl]-4-phenylbenzamide (PubChem CID 2179414) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[3-methoxy-4-(pentanoylamino)phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(pentanoylamino)phenyl]-4-phenylbenzamide
PubChem CID2179414
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-[3-methoxy-4-(pentanoylamino)phenyl]-4-phenylbenzamide
SMILESCCCCC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1OC
InChIInChI=1S/C25H26N2O3/c1-3-4-10-24(28)27-22-16-15-21(17-23(22)30-2)26-25(29)20-13-11-19(12-14-20)18-8-6-5-7-9-18/h5-9,11-17H,3-4,10H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyPTKOFGSIPBYUDA-UHFFFAOYSA-N
XLogP5.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(pentanoylamino)phenyl]-4-phenylbenzamide?
The IUPAC name of N-[3-methoxy-4-(pentanoylamino)phenyl]-4-phenylbenzamide (CID 2179414) is N-[3-methoxy-4-(pentanoylamino)phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[3-methoxy-4-(pentanoylamino)phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[3-methoxy-4-(pentanoylamino)phenyl]-4-phenylbenzamide is CCCCC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1OC.
What is the InChIKey of N-[3-methoxy-4-(pentanoylamino)phenyl]-4-phenylbenzamide?
The InChIKey is PTKOFGSIPBYUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-3-4-10-24(28)27-22-16-15-21(17-23(22)30-2)26-25(29)20-13-11-19(12-14-20)18-8-6-5-7-9-18/h5-9,11-17H,3-4,10H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-[3-methoxy-4-(pentanoylamino)phenyl]-4-phenylbenzamide?
N-[3-methoxy-4-(pentanoylamino)phenyl]-4-phenylbenzamide has a molecular weight of 402.49 g/mol, XLogP of 5.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(pentanoylamino)phenyl]-4-phenylbenzamide is sourced from PubChem (CID 2179414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).