N-(4-phenoxyphenyl)-3-phenylmethoxy-3-(propanoylamino)propanamide

C25H26N2O4 — CID 67380420

IUPACN-(4-phenoxyphenyl)-3-phenylmethoxy-3-(propanoylamino)propanamide
SMILESCCC(=O)NC(CC(=O)Nc1ccc(Oc2ccccc2)cc1)OCc1ccccc1
InChIInChI=1S/C25H26N2O4/c1-2-23(28)27-25(30-18-19-9-5-3-6-10-19)17-24(29)26-20-13-15-22(16-14-20)31-21-11-7-4-8-12-21/h3-16,25H,2,17-18H2,1H3,(H,26,29)(H,27,28)
InChIKeyJGHVLGDBTVPIIU-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.88
Rot. Bonds10

About N-(4-phenoxyphenyl)-3-phenylmethoxy-3-(propanoylamino)propanamide

N-(4-phenoxyphenyl)-3-phenylmethoxy-3-(propanoylamino)propanamide (PubChem CID 67380420) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-3-phenylmethoxy-3-(propanoylamino)propanamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-3-phenylmethoxy-3-(propanoylamino)propanamide
PubChem CID67380420
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC NameN-(4-phenoxyphenyl)-3-phenylmethoxy-3-(propanoylamino)propanamide
SMILESCCC(=O)NC(CC(=O)Nc1ccc(Oc2ccccc2)cc1)OCc1ccccc1
InChIInChI=1S/C25H26N2O4/c1-2-23(28)27-25(30-18-19-9-5-3-6-10-19)17-24(29)26-20-13-15-22(16-14-20)31-21-11-7-4-8-12-21/h3-16,25H,2,17-18H2,1H3,(H,26,29)(H,27,28)
InChIKeyJGHVLGDBTVPIIU-UHFFFAOYSA-N
XLogP4.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-3-phenylmethoxy-3-(propanoylamino)propanamide?
The IUPAC name of N-(4-phenoxyphenyl)-3-phenylmethoxy-3-(propanoylamino)propanamide (CID 67380420) is N-(4-phenoxyphenyl)-3-phenylmethoxy-3-(propanoylamino)propanamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-3-phenylmethoxy-3-(propanoylamino)propanamide?
The canonical SMILES for N-(4-phenoxyphenyl)-3-phenylmethoxy-3-(propanoylamino)propanamide is CCC(=O)NC(CC(=O)Nc1ccc(Oc2ccccc2)cc1)OCc1ccccc1.
What is the InChIKey of N-(4-phenoxyphenyl)-3-phenylmethoxy-3-(propanoylamino)propanamide?
The InChIKey is JGHVLGDBTVPIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-2-23(28)27-25(30-18-19-9-5-3-6-10-19)17-24(29)26-20-13-15-22(16-14-20)31-21-11-7-4-8-12-21/h3-16,25H,2,17-18H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-(4-phenoxyphenyl)-3-phenylmethoxy-3-(propanoylamino)propanamide?
N-(4-phenoxyphenyl)-3-phenylmethoxy-3-(propanoylamino)propanamide has a molecular weight of 418.49 g/mol, XLogP of 4.88, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-3-phenylmethoxy-3-(propanoylamino)propanamide is sourced from PubChem (CID 67380420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).