N-[2,5-dimethoxy-4-(2-phenylbutanoylamino)phenyl]benzamide

C25H26N2O4 — CID 2915063

IUPACN-[2,5-dimethoxy-4-(2-phenylbutanoylamino)phenyl]benzamide
SMILESCCC(C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC)c1ccccc1
InChIInChI=1S/C25H26N2O4/c1-4-19(17-11-7-5-8-12-17)25(29)27-21-16-22(30-2)20(15-23(21)31-3)26-24(28)18-13-9-6-10-14-18/h5-16,19H,4H2,1-3H3,(H,26,28)(H,27,29)
InChIKeySTSDVZPSJQZXRC-UHFFFAOYSA-N
MW418.49 g/mol
LogP5.09
Rot. Bonds8

About N-[2,5-dimethoxy-4-(2-phenylbutanoylamino)phenyl]benzamide

N-[2,5-dimethoxy-4-(2-phenylbutanoylamino)phenyl]benzamide (PubChem CID 2915063) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[2,5-dimethoxy-4-(2-phenylbutanoylamino)phenyl]benzamide.

Molecular Properties

Compound NameN-[2,5-dimethoxy-4-(2-phenylbutanoylamino)phenyl]benzamide
PubChem CID2915063
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC NameN-[2,5-dimethoxy-4-(2-phenylbutanoylamino)phenyl]benzamide
SMILESCCC(C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC)c1ccccc1
InChIInChI=1S/C25H26N2O4/c1-4-19(17-11-7-5-8-12-17)25(29)27-21-16-22(30-2)20(15-23(21)31-3)26-24(28)18-13-9-6-10-14-18/h5-16,19H,4H2,1-3H3,(H,26,28)(H,27,29)
InChIKeySTSDVZPSJQZXRC-UHFFFAOYSA-N
XLogP5.09
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.49
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethoxy-4-(2-phenylbutanoylamino)phenyl]benzamide?
The IUPAC name of N-[2,5-dimethoxy-4-(2-phenylbutanoylamino)phenyl]benzamide (CID 2915063) is N-[2,5-dimethoxy-4-(2-phenylbutanoylamino)phenyl]benzamide.
What is the SMILES notation for N-[2,5-dimethoxy-4-(2-phenylbutanoylamino)phenyl]benzamide?
The canonical SMILES for N-[2,5-dimethoxy-4-(2-phenylbutanoylamino)phenyl]benzamide is CCC(C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC)c1ccccc1.
What is the InChIKey of N-[2,5-dimethoxy-4-(2-phenylbutanoylamino)phenyl]benzamide?
The InChIKey is STSDVZPSJQZXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-4-19(17-11-7-5-8-12-17)25(29)27-21-16-22(30-2)20(15-23(21)31-3)26-24(28)18-13-9-6-10-14-18/h5-16,19H,4H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N-[2,5-dimethoxy-4-(2-phenylbutanoylamino)phenyl]benzamide?
N-[2,5-dimethoxy-4-(2-phenylbutanoylamino)phenyl]benzamide has a molecular weight of 418.49 g/mol, XLogP of 5.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethoxy-4-(2-phenylbutanoylamino)phenyl]benzamide is sourced from PubChem (CID 2915063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).