N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-ylphenoxy)propanamide

C22H27NO3 — CID 17122510

IUPACN-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESC=C(C)COc1cccc(NC(=O)C(C)Oc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H27NO3/c1-15(2)14-25-21-8-6-7-19(13-21)23-22(24)17(5)26-20-11-9-18(10-12-20)16(3)4/h6-13,16-17H,1,14H2,2-5H3,(H,23,24)
InChIKeyJYHILOAFOJAPIH-UHFFFAOYSA-N
MW353.46 g/mol
LogP5.17
Rot. Bonds8

About N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-ylphenoxy)propanamide

N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 17122510) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID17122510
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESC=C(C)COc1cccc(NC(=O)C(C)Oc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H27NO3/c1-15(2)14-25-21-8-6-7-19(13-21)23-22(24)17(5)26-20-11-9-18(10-12-20)16(3)4/h6-13,16-17H,1,14H2,2-5H3,(H,23,24)
InChIKeyJYHILOAFOJAPIH-UHFFFAOYSA-N
XLogP5.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.46
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methylprop-2-enoxy)phenyl]-2-phenoxypropanamide
CID 17122473
(2R)-2-(4-chlorophenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
CID 26239058
N-[4-(2-methylprop-2-enoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 17097694
N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822286
N-[3-[(2-phenylacetyl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 17235622
2-(4-methylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
CID 17086700
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-cyanophenoxy)propanamide
CID 24649964
N-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 17123582
N-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 54781105
2-(4-acetamidophenoxy)-N-(3-methoxyphenyl)propanamide
CID 4884235
N'-[2-(3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953842
1-(3-chlorophenyl)-3-[3-(2-methylprop-2-enoxy)phenyl]urea
CID 17122466

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-ylphenoxy)propanamide (CID 17122510) is N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-ylphenoxy)propanamide is C=C(C)COc1cccc(NC(=O)C(C)Oc2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is JYHILOAFOJAPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-15(2)14-25-21-8-6-7-19(13-21)23-22(24)17(5)26-20-11-9-18(10-12-20)16(3)4/h6-13,16-17H,1,14H2,2-5H3,(H,23,24).
What are the key properties of N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 353.46 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 17122510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).