N-(3-hydroxypropyl)-4-(4-propan-2-ylphenoxy)butanamide

C16H25NO3 — CID 110487301

IUPACN-(3-hydroxypropyl)-4-(4-propan-2-ylphenoxy)butanamide
SMILESCC(C)c1ccc(OCCCC(=O)NCCCO)cc1
InChIInChI=1S/C16H25NO3/c1-13(2)14-6-8-15(9-7-14)20-12-3-5-16(19)17-10-4-11-18/h6-9,13,18H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyBJJVCANELGGSJE-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.47
Rot. Bonds9

About N-(3-hydroxypropyl)-4-(4-propan-2-ylphenoxy)butanamide

N-(3-hydroxypropyl)-4-(4-propan-2-ylphenoxy)butanamide (PubChem CID 110487301) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-(4-propan-2-ylphenoxy)butanamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-(4-propan-2-ylphenoxy)butanamide
PubChem CID110487301
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-(3-hydroxypropyl)-4-(4-propan-2-ylphenoxy)butanamide
SMILESCC(C)c1ccc(OCCCC(=O)NCCCO)cc1
InChIInChI=1S/C16H25NO3/c1-13(2)14-6-8-15(9-7-14)20-12-3-5-16(19)17-10-4-11-18/h6-9,13,18H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyBJJVCANELGGSJE-UHFFFAOYSA-N
XLogP2.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-propan-2-ylphenoxy)-N-prop-2-enylbutanamide
CID 19207254
N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide
CID 106843542
N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]-4-propan-2-ylbenzamide
CID 108572898
2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
CID 94687173
4-(4-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 21367640
4-hydroxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 94689915
6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 103801838
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930
N-(3-hydroxypropyl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 78796002
N-(3,5-dimethylphenyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 19207272
4-phenoxy-N-(4-propan-2-ylphenyl)butanamide
CID 21367289
4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide
CID 119500483

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-(4-propan-2-ylphenoxy)butanamide?
The IUPAC name of N-(3-hydroxypropyl)-4-(4-propan-2-ylphenoxy)butanamide (CID 110487301) is N-(3-hydroxypropyl)-4-(4-propan-2-ylphenoxy)butanamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-(4-propan-2-ylphenoxy)butanamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-(4-propan-2-ylphenoxy)butanamide is CC(C)c1ccc(OCCCC(=O)NCCCO)cc1.
What is the InChIKey of N-(3-hydroxypropyl)-4-(4-propan-2-ylphenoxy)butanamide?
The InChIKey is BJJVCANELGGSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-13(2)14-6-8-15(9-7-14)20-12-3-5-16(19)17-10-4-11-18/h6-9,13,18H,3-5,10-12H2,1-2H3,(H,17,19).
What are the key properties of N-(3-hydroxypropyl)-4-(4-propan-2-ylphenoxy)butanamide?
N-(3-hydroxypropyl)-4-(4-propan-2-ylphenoxy)butanamide has a molecular weight of 279.38 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-(4-propan-2-ylphenoxy)butanamide is sourced from PubChem (CID 110487301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).