N-[3-[(2-phenylacetyl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide

C26H28N2O3 — CID 17235622

IUPACN-[3-[(2-phenylacetyl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)Nc1cccc(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C26H28N2O3/c1-18(2)21-12-14-24(15-13-21)31-19(3)26(30)28-23-11-7-10-22(17-23)27-25(29)16-20-8-5-4-6-9-20/h4-15,17-19H,16H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyKTLPIVKENBWULA-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.40
Rot. Bonds8

About N-[3-[(2-phenylacetyl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide

N-[3-[(2-phenylacetyl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 17235622) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[3-[(2-phenylacetyl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-[(2-phenylacetyl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID17235622
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN-[3-[(2-phenylacetyl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)Nc1cccc(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C26H28N2O3/c1-18(2)21-12-14-24(15-13-21)31-19(3)26(30)28-23-11-7-10-22(17-23)27-25(29)16-20-8-5-4-6-9-20/h4-15,17-19H,16H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyKTLPIVKENBWULA-UHFFFAOYSA-N
XLogP5.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 54781105
tert-butyl N-[2-oxo-2-[3-[2-(4-propan-2-ylphenoxy)propanoylamino]anilino]ethyl]carbamate
CID 108917148
2-phenyl-N-(3-propan-2-yloxyphenyl)acetamide
CID 6458056
(2S)-N-(3-chlorophenyl)-2-(4-phenylmethoxyphenoxy)propanamide
CID 7916093
N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 17122510
(2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide
CID 9239248
(2S)-N-(3-acetamidophenyl)-2-naphthalen-2-yloxypropanamide
CID 42561585
tert-butyl N-[2-oxo-2-[[3-[2-(4-propan-2-ylphenoxy)propanoylamino]phenyl]methylamino]ethyl]carbamate
CID 108918406
3-[2-(4-propan-2-ylphenoxy)propanoylamino]-N-propylbenzamide
CID 17222714
N-tert-butyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 43887303
N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 4953685
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-phenylpropanamide
CID 78934009

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-phenylacetyl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[3-[(2-phenylacetyl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide (CID 17235622) is N-[3-[(2-phenylacetyl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[3-[(2-phenylacetyl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[3-[(2-phenylacetyl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide is CC(Oc1ccc(C(C)C)cc1)C(=O)Nc1cccc(NC(=O)Cc2ccccc2)c1.
What is the InChIKey of N-[3-[(2-phenylacetyl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is KTLPIVKENBWULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-18(2)21-12-14-24(15-13-21)31-19(3)26(30)28-23-11-7-10-22(17-23)27-25(29)16-20-8-5-4-6-9-20/h4-15,17-19H,16H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of N-[3-[(2-phenylacetyl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
N-[3-[(2-phenylacetyl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 416.52 g/mol, XLogP of 5.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-phenylacetyl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 17235622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).