N-[2-(2-hydroxyphenyl)ethyl]-5-(4-methoxyphenyl)-5-oxopentanamide

C20H23NO4 — CID 110427199

IUPACN-[2-(2-hydroxyphenyl)ethyl]-5-(4-methoxyphenyl)-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)NCCc2ccccc2O)cc1
InChIInChI=1S/C20H23NO4/c1-25-17-11-9-16(10-12-17)19(23)7-4-8-20(24)21-14-13-15-5-2-3-6-18(15)22/h2-3,5-6,9-12,22H,4,7-8,13-14H2,1H3,(H,21,24)
InChIKeySKKMNNZRYFBKMV-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.11
Rot. Bonds9

About N-[2-(2-hydroxyphenyl)ethyl]-5-(4-methoxyphenyl)-5-oxopentanamide

N-[2-(2-hydroxyphenyl)ethyl]-5-(4-methoxyphenyl)-5-oxopentanamide (PubChem CID 110427199) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-(2-hydroxyphenyl)ethyl]-5-(4-methoxyphenyl)-5-oxopentanamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyphenyl)ethyl]-5-(4-methoxyphenyl)-5-oxopentanamide
PubChem CID110427199
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN-[2-(2-hydroxyphenyl)ethyl]-5-(4-methoxyphenyl)-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)NCCc2ccccc2O)cc1
InChIInChI=1S/C20H23NO4/c1-25-17-11-9-16(10-12-17)19(23)7-4-8-20(24)21-14-13-15-5-2-3-6-18(15)22/h2-3,5-6,9-12,22H,4,7-8,13-14H2,1H3,(H,21,24)
InChIKeySKKMNNZRYFBKMV-UHFFFAOYSA-N
XLogP3.11
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-hydroxyphenyl)ethyl]-5-oxo-5-phenylpentanamide
CID 110614826
3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 13045747
N-(3-aminobutyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 119496713
N-(4,4-dimethylpentyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 110617824
N-[2-(2,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 110615942
N-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide
CID 110605250
5-(4-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopentanamide
CID 55972820
N-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide
CID 47413820
N-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110609779
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide
CID 20969090
N-(2-amino-2-phenylethyl)-5-(4-methoxyphenyl)-5-oxopentanamide;hydrochloride
CID 119528324
5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide
CID 110298184

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyphenyl)ethyl]-5-(4-methoxyphenyl)-5-oxopentanamide?
The IUPAC name of N-[2-(2-hydroxyphenyl)ethyl]-5-(4-methoxyphenyl)-5-oxopentanamide (CID 110427199) is N-[2-(2-hydroxyphenyl)ethyl]-5-(4-methoxyphenyl)-5-oxopentanamide.
What is the SMILES notation for N-[2-(2-hydroxyphenyl)ethyl]-5-(4-methoxyphenyl)-5-oxopentanamide?
The canonical SMILES for N-[2-(2-hydroxyphenyl)ethyl]-5-(4-methoxyphenyl)-5-oxopentanamide is COc1ccc(C(=O)CCCC(=O)NCCc2ccccc2O)cc1.
What is the InChIKey of N-[2-(2-hydroxyphenyl)ethyl]-5-(4-methoxyphenyl)-5-oxopentanamide?
The InChIKey is SKKMNNZRYFBKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-25-17-11-9-16(10-12-17)19(23)7-4-8-20(24)21-14-13-15-5-2-3-6-18(15)22/h2-3,5-6,9-12,22H,4,7-8,13-14H2,1H3,(H,21,24).
What are the key properties of N-[2-(2-hydroxyphenyl)ethyl]-5-(4-methoxyphenyl)-5-oxopentanamide?
N-[2-(2-hydroxyphenyl)ethyl]-5-(4-methoxyphenyl)-5-oxopentanamide has a molecular weight of 341.41 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyphenyl)ethyl]-5-(4-methoxyphenyl)-5-oxopentanamide is sourced from PubChem (CID 110427199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).