4-phenoxy-N-(4-propan-2-ylphenyl)butanamide

C19H23NO2 — CID 21367289

IUPAC4-phenoxy-N-(4-propan-2-ylphenyl)butanamide
SMILESCC(C)c1ccc(NC(=O)CCCOc2ccccc2)cc1
InChIInChI=1S/C19H23NO2/c1-15(2)16-10-12-17(13-11-16)20-19(21)9-6-14-22-18-7-4-3-5-8-18/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H,20,21)
InChIKeyICTWEFVAMVNSAT-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.61
Rot. Bonds7

About 4-phenoxy-N-(4-propan-2-ylphenyl)butanamide

4-phenoxy-N-(4-propan-2-ylphenyl)butanamide (PubChem CID 21367289) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-phenoxy-N-(4-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name4-phenoxy-N-(4-propan-2-ylphenyl)butanamide
PubChem CID21367289
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name4-phenoxy-N-(4-propan-2-ylphenyl)butanamide
SMILESCC(C)c1ccc(NC(=O)CCCOc2ccccc2)cc1
InChIInChI=1S/C19H23NO2/c1-15(2)16-10-12-17(13-11-16)20-19(21)9-6-14-22-18-7-4-3-5-8-18/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H,20,21)
InChIKeyICTWEFVAMVNSAT-UHFFFAOYSA-N
XLogP4.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethylphenyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 19207272
N-(3-chlorophenyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 19207322
N-[4-(methanesulfonamido)phenyl]-4-phenoxybutanamide
CID 30784558
N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1320918
N-[4-(difluoromethoxy)phenyl]-4-phenoxybutanamide
CID 112793225
5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid
CID 4958221
N-[4-(methylsulfamoyl)phenyl]-4-phenoxybutanamide
CID 9219640
3-phenylsulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 23973484
3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 819687
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-phenoxybutanamide
CID 43007962
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
3-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 19168024

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-(4-propan-2-ylphenyl)butanamide?
The IUPAC name of 4-phenoxy-N-(4-propan-2-ylphenyl)butanamide (CID 21367289) is 4-phenoxy-N-(4-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 4-phenoxy-N-(4-propan-2-ylphenyl)butanamide?
The canonical SMILES for 4-phenoxy-N-(4-propan-2-ylphenyl)butanamide is CC(C)c1ccc(NC(=O)CCCOc2ccccc2)cc1.
What is the InChIKey of 4-phenoxy-N-(4-propan-2-ylphenyl)butanamide?
The InChIKey is ICTWEFVAMVNSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-15(2)16-10-12-17(13-11-16)20-19(21)9-6-14-22-18-7-4-3-5-8-18/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H,20,21).
What are the key properties of 4-phenoxy-N-(4-propan-2-ylphenyl)butanamide?
4-phenoxy-N-(4-propan-2-ylphenyl)butanamide has a molecular weight of 297.40 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-(4-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 21367289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).