N-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide

C25H26N2O3 — CID 54781105

IUPACN-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C25H26N2O3/c1-17(2)19-12-14-23(15-13-19)30-18(3)24(28)27-22-11-7-8-20(16-22)25(29)26-21-9-5-4-6-10-21/h4-18H,1-3H3,(H,26,29)(H,27,28)
InChIKeyVAXAJMPLLUDGRK-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.47
Rot. Bonds7

About N-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide

N-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide (PubChem CID 54781105) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
PubChem CID54781105
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C25H26N2O3/c1-17(2)19-12-14-23(15-13-19)30-18(3)24(28)27-22-11-7-8-20(16-22)25(29)26-21-9-5-4-6-10-21/h4-18H,1-3H3,(H,26,29)(H,27,28)
InChIKeyVAXAJMPLLUDGRK-UHFFFAOYSA-N
XLogP5.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 43887303
N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 9252923
[3-[[4-[2-(4-propan-2-ylphenoxy)propanoylamino]phenyl]carbamoyl]phenyl] acetate
CID 108927645
3-[2-(4-propan-2-ylphenoxy)propanoylamino]-N-propylbenzamide
CID 17222714
N-methyl-3-(2-phenoxypropanoylamino)benzamide
CID 17233082
3-[2-(4-methylphenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
CID 43877477
3-[2-(4-chlorophenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
CID 43877483
3-(2-phenoxypropanoylamino)-N-(1-phenylethyl)benzamide
CID 43877796
3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid
CID 974931
N-[3-[(2-phenylacetyl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 17235622
3-[2-(4-chlorophenoxy)propanoylamino]benzoic acid
CID 19176856
N-(2-methylpropyl)-3-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 976970

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide?
The IUPAC name of N-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide (CID 54781105) is N-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide?
The canonical SMILES for N-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide is CC(Oc1ccc(C(C)C)cc1)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1.
What is the InChIKey of N-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide?
The InChIKey is VAXAJMPLLUDGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-17(2)19-12-14-23(15-13-19)30-18(3)24(28)27-22-11-7-8-20(16-22)25(29)26-21-9-5-4-6-10-21/h4-18H,1-3H3,(H,26,29)(H,27,28).
What are the key properties of N-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide?
N-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide has a molecular weight of 402.49 g/mol, XLogP of 5.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 54781105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).