4-(4-propan-2-ylphenoxy)-N-prop-2-enylbutanamide

C16H23NO2 — CID 19207254

IUPAC4-(4-propan-2-ylphenoxy)-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CCCOc1ccc(C(C)C)cc1
InChIInChI=1S/C16H23NO2/c1-4-11-17-16(18)6-5-12-19-15-9-7-14(8-10-15)13(2)3/h4,7-10,13H,1,5-6,11-12H2,2-3H3,(H,17,18)
InChIKeyGFWIFHJGQHDFJB-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.27
Rot. Bonds8

About 4-(4-propan-2-ylphenoxy)-N-prop-2-enylbutanamide

4-(4-propan-2-ylphenoxy)-N-prop-2-enylbutanamide (PubChem CID 19207254) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(4-propan-2-ylphenoxy)-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name4-(4-propan-2-ylphenoxy)-N-prop-2-enylbutanamide
PubChem CID19207254
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name4-(4-propan-2-ylphenoxy)-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CCCOc1ccc(C(C)C)cc1
InChIInChI=1S/C16H23NO2/c1-4-11-17-16(18)6-5-12-19-15-9-7-14(8-10-15)13(2)3/h4,7-10,13H,1,5-6,11-12H2,2-3H3,(H,17,18)
InChIKeyGFWIFHJGQHDFJB-UHFFFAOYSA-N
XLogP3.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 110487301
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 78932793
4-phenoxy-N-(4-propan-2-ylphenyl)butanamide
CID 21367289
N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]-4-propan-2-ylbenzamide
CID 108572898
1-pent-4-enoxy-4-propan-2-ylbenzene
CID 64764392
N-(3,5-dimethylphenyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 19207272
3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide
CID 108784863
2-[4-(1-hydroxypropyl)phenoxy]-N-prop-2-enylacetamide
CID 43504554
1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide
CID 4506492
2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
CID 94687173
3-(4-propan-2-ylphenoxy)propanoic acid
CID 16777434
2-[[4-amino-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide
CID 27564014

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylphenoxy)-N-prop-2-enylbutanamide?
The IUPAC name of 4-(4-propan-2-ylphenoxy)-N-prop-2-enylbutanamide (CID 19207254) is 4-(4-propan-2-ylphenoxy)-N-prop-2-enylbutanamide.
What is the SMILES notation for 4-(4-propan-2-ylphenoxy)-N-prop-2-enylbutanamide?
The canonical SMILES for 4-(4-propan-2-ylphenoxy)-N-prop-2-enylbutanamide is C=CCNC(=O)CCCOc1ccc(C(C)C)cc1.
What is the InChIKey of 4-(4-propan-2-ylphenoxy)-N-prop-2-enylbutanamide?
The InChIKey is GFWIFHJGQHDFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-11-17-16(18)6-5-12-19-15-9-7-14(8-10-15)13(2)3/h4,7-10,13H,1,5-6,11-12H2,2-3H3,(H,17,18).
What are the key properties of 4-(4-propan-2-ylphenoxy)-N-prop-2-enylbutanamide?
4-(4-propan-2-ylphenoxy)-N-prop-2-enylbutanamide has a molecular weight of 261.37 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylphenoxy)-N-prop-2-enylbutanamide is sourced from PubChem (CID 19207254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).