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

C22H27NO5 — CID 110308829

IUPACN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N-methyl-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)N(C)CC(O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H27NO5/c1-23(15-21(25)17-9-13-19(28-3)14-10-17)22(26)6-4-5-20(24)16-7-11-18(27-2)12-8-16/h7-14,21,25H,4-6,15H2,1-3H3
InChIKeyKJNWXPURBMHVLN-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.25
Rot. Bonds10

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

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N-methyl-5-oxopentanamide (PubChem CID 110308829) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N-methyl-5-oxopentanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N-methyl-5-oxopentanamide
PubChem CID110308829
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N-methyl-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)N(C)CC(O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H27NO5/c1-23(15-21(25)17-9-13-19(28-3)14-10-17)22(26)6-4-5-20(24)16-7-11-18(27-2)12-8-16/h7-14,21,25H,4-6,15H2,1-3H3
InChIKeyKJNWXPURBMHVLN-UHFFFAOYSA-N
XLogP3.25
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]-methylamino]-2-methylpropanoic acid
CID 120687229
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-(4-methylphenyl)butanamide
CID 110308817
4-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbutanamide
CID 110308819
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-ylpentanamide
CID 110308820
4-(1,3-dioxoisoindol-2-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbutanamide
CID 110291134
5-(4-methoxyphenyl)-N-methyl-5-oxo-N-phenylpentanamide
CID 110298230
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-phenylbenzamide
CID 110291119
N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-5-phenylpentanamide
CID 110354210
7-(4-methoxyphenyl)-N-methyl-7-oxo-N-[(1S)-1-phenylethyl]heptanamide
CID 99792882
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(4-methoxyphenyl)-N,3-dimethylbutanamide
CID 110313652
4-methoxy-1,4-bis(4-methoxyphenyl)butan-1-one
CID 15310595

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N-methyl-5-oxopentanamide?
The IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N-methyl-5-oxopentanamide (CID 110308829) is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N-methyl-5-oxopentanamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N-methyl-5-oxopentanamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N-methyl-5-oxopentanamide is COc1ccc(C(=O)CCCC(=O)N(C)CC(O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N-methyl-5-oxopentanamide?
The InChIKey is KJNWXPURBMHVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-23(15-21(25)17-9-13-19(28-3)14-10-17)22(26)6-4-5-20(24)16-7-11-18(27-2)12-8-16/h7-14,21,25H,4-6,15H2,1-3H3.
What are the key properties of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N-methyl-5-oxopentanamide?
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N-methyl-5-oxopentanamide has a molecular weight of 385.46 g/mol, XLogP of 3.25, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N-methyl-5-oxopentanamide is sourced from PubChem (CID 110308829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).