N-(5-hydroxy-2-adamantyl)-2-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]propanamide

C26H38N2O4 — CID 10072060

IUPACN-(5-hydroxy-2-adamantyl)-2-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]propanamide
SMILESCC(C)(C(=O)NC1C2CC3CC1CC(O)(C3)C2)c1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C26H38N2O4/c1-25(2,21-4-3-5-22(14-21)32-11-8-28-6-9-31-10-7-28)24(29)27-23-19-12-18-13-20(23)17-26(30,15-18)16-19/h3-5,14,18-20,23,30H,6-13,15-17H2,1-2H3,(H,27,29)
InChIKeyYYZCNPSWYABHGL-UHFFFAOYSA-N
MW442.60 g/mol
LogP2.73
Rot. Bonds7

About N-(5-hydroxy-2-adamantyl)-2-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]propanamide

N-(5-hydroxy-2-adamantyl)-2-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]propanamide (PubChem CID 10072060) has the molecular formula C26H38N2O4 and a molecular weight of 442.60 g/mol. Its IUPAC name is N-(5-hydroxy-2-adamantyl)-2-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]propanamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-adamantyl)-2-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]propanamide
PubChem CID10072060
Molecular FormulaC26H38N2O4
Molecular Weight442.60 g/mol
Exact Mass442.28
IUPAC NameN-(5-hydroxy-2-adamantyl)-2-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]propanamide
SMILESCC(C)(C(=O)NC1C2CC3CC1CC(O)(C3)C2)c1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C26H38N2O4/c1-25(2,21-4-3-5-22(14-21)32-11-8-28-6-9-31-10-7-28)24(29)27-23-19-12-18-13-20(23)17-26(30,15-18)16-19/h3-5,14,18-20,23,30H,6-13,15-17H2,1-2H3,(H,27,29)
InChIKeyYYZCNPSWYABHGL-UHFFFAOYSA-N
XLogP2.73
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,3R)-5-hydroxy-2-adamantyl]-2-(3-methoxy-5-methylphenyl)-2-methylpropanamide
CID 59658188
4-[2-[3-(2-methylbutan-2-yl)phenoxy]ethyl]morpholine
CID 70920966
2-(3,4-dichlorophenyl)-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
CID 52807125
4-[2-[2-(3-tert-butylphenoxy)ethoxy]ethyl]morpholine;hydrochloride
CID 2995859
2-(1-adamantyl)-2-hydroxy-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide
CID 44590856
4-[2-[3-(1-methylcyclopropyl)phenoxy]ethyl]morpholine
CID 143919423
1-(1-adamantyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea
CID 25014955
4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine
CID 803266
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
2-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide
CID 68977864

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-adamantyl)-2-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]propanamide?
The IUPAC name of N-(5-hydroxy-2-adamantyl)-2-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]propanamide (CID 10072060) is N-(5-hydroxy-2-adamantyl)-2-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]propanamide.
What is the SMILES notation for N-(5-hydroxy-2-adamantyl)-2-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]propanamide?
The canonical SMILES for N-(5-hydroxy-2-adamantyl)-2-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]propanamide is CC(C)(C(=O)NC1C2CC3CC1CC(O)(C3)C2)c1cccc(OCCN2CCOCC2)c1.
What is the InChIKey of N-(5-hydroxy-2-adamantyl)-2-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]propanamide?
The InChIKey is YYZCNPSWYABHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O4/c1-25(2,21-4-3-5-22(14-21)32-11-8-28-6-9-31-10-7-28)24(29)27-23-19-12-18-13-20(23)17-26(30,15-18)16-19/h3-5,14,18-20,23,30H,6-13,15-17H2,1-2H3,(H,27,29).
What are the key properties of N-(5-hydroxy-2-adamantyl)-2-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]propanamide?
N-(5-hydroxy-2-adamantyl)-2-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]propanamide has a molecular weight of 442.60 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-adamantyl)-2-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]propanamide is sourced from PubChem (CID 10072060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).