N-[1-(4-tert-butylphenyl)ethyl]-5-hydroxypentanamide

C17H27NO2 — CID 79198933

IUPACN-[1-(4-tert-butylphenyl)ethyl]-5-hydroxypentanamide
SMILESCC(NC(=O)CCCCO)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-13(18-16(20)7-5-6-12-19)14-8-10-15(11-9-14)17(2,3)4/h8-11,13,19H,5-7,12H2,1-4H3,(H,18,20)
InChIKeySYCSTHCWQGBSLF-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.32
Rot. Bonds6

About N-[1-(4-tert-butylphenyl)ethyl]-5-hydroxypentanamide

N-[1-(4-tert-butylphenyl)ethyl]-5-hydroxypentanamide (PubChem CID 79198933) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-5-hydroxypentanamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-5-hydroxypentanamide
PubChem CID79198933
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-5-hydroxypentanamide
SMILESCC(NC(=O)CCCCO)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-13(18-16(20)7-5-6-12-19)14-8-10-15(11-9-14)17(2,3)4/h8-11,13,19H,5-7,12H2,1-4H3,(H,18,20)
InChIKeySYCSTHCWQGBSLF-UHFFFAOYSA-N
XLogP3.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
CID 81356317
5-hydroxy-N-[(1S)-1-(4-methylphenyl)ethyl]pentanamide
CID 81355860
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 81349027
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxybutanamide
CID 81354540
1-[1-(4-tert-butylphenyl)ethyl]-3-(3-hydroxypropyl)urea
CID 110901095
N-[1-(3-fluorophenyl)ethyl]-5-hydroxypentanamide
CID 79199383
3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 38016056
N-[1-(4-tert-butylphenyl)ethyl]-3-(cyclopropylamino)propanamide
CID 60866018
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
N-[1-(4-tert-butylphenyl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 134043349
3-benzylsulfanyl-N-[1-(4-tert-butylphenyl)ethyl]propanamide
CID 132653746
5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pentanamide
CID 81352741

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-5-hydroxypentanamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-5-hydroxypentanamide (CID 79198933) is N-[1-(4-tert-butylphenyl)ethyl]-5-hydroxypentanamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-5-hydroxypentanamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-5-hydroxypentanamide is CC(NC(=O)CCCCO)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-5-hydroxypentanamide?
The InChIKey is SYCSTHCWQGBSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(18-16(20)7-5-6-12-19)14-8-10-15(11-9-14)17(2,3)4/h8-11,13,19H,5-7,12H2,1-4H3,(H,18,20).
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-5-hydroxypentanamide?
N-[1-(4-tert-butylphenyl)ethyl]-5-hydroxypentanamide has a molecular weight of 277.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-5-hydroxypentanamide is sourced from PubChem (CID 79198933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).