N-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide

C18H21NO3 — CID 110605250

IUPACN-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCCc1ccccc1O
InChIInChI=1S/C18H21NO3/c20-17-10-5-4-7-15(17)12-13-19-18(21)11-6-14-22-16-8-2-1-3-9-16/h1-5,7-10,20H,6,11-14H2,(H,19,21)
InChIKeyLRUPNVISKIUOCS-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.91
Rot. Bonds8

About N-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide

N-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide (PubChem CID 110605250) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide
PubChem CID110605250
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCCc1ccccc1O
InChIInChI=1S/C18H21NO3/c20-17-10-5-4-7-15(17)12-13-19-18(21)11-6-14-22-16-8-2-1-3-9-16/h1-5,7-10,20H,6,11-14H2,(H,19,21)
InChIKeyLRUPNVISKIUOCS-UHFFFAOYSA-N
XLogP2.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.91
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

N-[2-(2-hydroxyphenyl)ethyl]-5-oxo-5-phenylpentanamide
CID 110614826
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
N-[2-(3-methylphenyl)ethyl]-4-phenoxybutanamide
CID 110288608
N-[4-(4-chlorophenoxy)butyl]-3-(2-hydroxyphenyl)propanamide
CID 31676938
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide
CID 110601484
N-[2-(4-nitrophenyl)ethyl]-4-phenoxybutanamide
CID 110294448
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 4-phenoxybutanoate
CID 8578548
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
4-phenoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 64546403
3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 120608352
N-[2-(2-hydroxyphenyl)ethyl]-5-(4-methoxyphenyl)-5-oxopentanamide
CID 110427199
5-bromo-N-(3-phenoxypropyl)pentanamide
CID 107909983

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide?
The IUPAC name of N-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide (CID 110605250) is N-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide?
The canonical SMILES for N-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide is O=C(CCCOc1ccccc1)NCCc1ccccc1O.
What is the InChIKey of N-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide?
The InChIKey is LRUPNVISKIUOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c20-17-10-5-4-7-15(17)12-13-19-18(21)11-6-14-22-16-8-2-1-3-9-16/h1-5,7-10,20H,6,11-14H2,(H,19,21).
What are the key properties of N-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide?
N-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide has a molecular weight of 299.37 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide is sourced from PubChem (CID 110605250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).