N-[2-(2-hydroxyphenyl)ethyl]-5-oxo-5-phenylpentanamide

C19H21NO3 — CID 110614826

IUPACN-[2-(2-hydroxyphenyl)ethyl]-5-oxo-5-phenylpentanamide
SMILESO=C(CCCC(=O)c1ccccc1)NCCc1ccccc1O
InChIInChI=1S/C19H21NO3/c21-17-10-5-4-9-16(17)13-14-20-19(23)12-6-11-18(22)15-7-2-1-3-8-15/h1-5,7-10,21H,6,11-14H2,(H,20,23)
InChIKeyXOMYAXXNIDNMOQ-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.10
Rot. Bonds8

About N-[2-(2-hydroxyphenyl)ethyl]-5-oxo-5-phenylpentanamide

N-[2-(2-hydroxyphenyl)ethyl]-5-oxo-5-phenylpentanamide (PubChem CID 110614826) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[2-(2-hydroxyphenyl)ethyl]-5-oxo-5-phenylpentanamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyphenyl)ethyl]-5-oxo-5-phenylpentanamide
PubChem CID110614826
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-[2-(2-hydroxyphenyl)ethyl]-5-oxo-5-phenylpentanamide
SMILESO=C(CCCC(=O)c1ccccc1)NCCc1ccccc1O
InChIInChI=1S/C19H21NO3/c21-17-10-5-4-9-16(17)13-14-20-19(23)12-6-11-18(22)15-7-2-1-3-8-15/h1-5,7-10,21H,6,11-14H2,(H,20,23)
InChIKeyXOMYAXXNIDNMOQ-UHFFFAOYSA-N
XLogP3.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-hydroxyphenyl)ethyl]-5-(4-methoxyphenyl)-5-oxopentanamide
CID 110427199
3-[(5-oxo-5-phenylpentanoyl)amino]propanoic acid
CID 108796142
N-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide
CID 110605250
N-(6-hydroxyhexyl)-5-oxo-5-phenylpentanamide
CID 108807536
N-(3-acetamidopropyl)-5-oxo-5-phenylpentanamide
CID 110354627
4-(2-chlorophenyl)-N-[2-(2-hydroxyphenyl)ethyl]-4-oxobutanamide
CID 110614901
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide
CID 20969090
N-[2-(2-hydroxyphenyl)ethyl]-2-sulfanylacetamide
CID 141064188
5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 78911171
N-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110614904
4-[[(5-oxo-5-phenylpentanoyl)amino]methyl]benzoic acid
CID 108796178
3-cyclohexyl-N-[2-(2-hydroxyphenyl)ethyl]propanamide
CID 110483602

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyphenyl)ethyl]-5-oxo-5-phenylpentanamide?
The IUPAC name of N-[2-(2-hydroxyphenyl)ethyl]-5-oxo-5-phenylpentanamide (CID 110614826) is N-[2-(2-hydroxyphenyl)ethyl]-5-oxo-5-phenylpentanamide.
What is the SMILES notation for N-[2-(2-hydroxyphenyl)ethyl]-5-oxo-5-phenylpentanamide?
The canonical SMILES for N-[2-(2-hydroxyphenyl)ethyl]-5-oxo-5-phenylpentanamide is O=C(CCCC(=O)c1ccccc1)NCCc1ccccc1O.
What is the InChIKey of N-[2-(2-hydroxyphenyl)ethyl]-5-oxo-5-phenylpentanamide?
The InChIKey is XOMYAXXNIDNMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c21-17-10-5-4-9-16(17)13-14-20-19(23)12-6-11-18(22)15-7-2-1-3-8-15/h1-5,7-10,21H,6,11-14H2,(H,20,23).
What are the key properties of N-[2-(2-hydroxyphenyl)ethyl]-5-oxo-5-phenylpentanamide?
N-[2-(2-hydroxyphenyl)ethyl]-5-oxo-5-phenylpentanamide has a molecular weight of 311.38 g/mol, XLogP of 3.10, 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]-5-oxo-5-phenylpentanamide is sourced from PubChem (CID 110614826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).