2-(1-adamantyl)-2-hydroxy-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide

C25H36N2O4 — CID 44590856

IUPAC2-(1-adamantyl)-2-hydroxy-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide
SMILESO=C(Nc1cccc(OCCCN2CCOCC2)c1)C(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H36N2O4/c28-23(25-15-18-11-19(16-25)13-20(12-18)17-25)24(29)26-21-3-1-4-22(14-21)31-8-2-5-27-6-9-30-10-7-27/h1,3-4,14,18-20,23,28H,2,5-13,15-17H2,(H,26,29)
InChIKeyCQJKTTABBXYZAT-UHFFFAOYSA-N
MW428.57 g/mol
LogP3.30
Rot. Bonds8

About 2-(1-adamantyl)-2-hydroxy-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide

2-(1-adamantyl)-2-hydroxy-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide (PubChem CID 44590856) has the molecular formula C25H36N2O4 and a molecular weight of 428.57 g/mol. Its IUPAC name is 2-(1-adamantyl)-2-hydroxy-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-2-hydroxy-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide
PubChem CID44590856
Molecular FormulaC25H36N2O4
Molecular Weight428.57 g/mol
Exact Mass428.27
IUPAC Name2-(1-adamantyl)-2-hydroxy-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide
SMILESO=C(Nc1cccc(OCCCN2CCOCC2)c1)C(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H36N2O4/c28-23(25-15-18-11-19(16-25)13-20(12-18)17-25)24(29)26-21-3-1-4-22(14-21)31-8-2-5-27-6-9-30-10-7-27/h1,3-4,14,18-20,23,28H,2,5-13,15-17H2,(H,26,29)
InChIKeyCQJKTTABBXYZAT-UHFFFAOYSA-N
XLogP3.30
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.57
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide
CID 68977864
1-(1-adamantyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea
CID 25014955
3,3-dimethyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide
CID 25015202
1-(1-adamantyl)-3-[4-(4-morpholin-4-ylbutoxy)phenyl]urea
CID 70692218
2-morpholin-4-ylethyl N-(3-nonoxyphenyl)carbamate;hydrochloride
CID 3087063
N-(3-bromophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide
CID 91937888
N-[3-[4-(4-acetylpiperazin-1-yl)butoxy]phenyl]-2-(1-tricyclo[3.3.1.03,7]nonanyl)acetamide
CID 163889427
2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide
CID 145480495
3-[3-(1,4-oxazepan-4-yl)propoxy]benzoic acid
CID 63075111
4-[3-(3-iodophenoxy)propyl]morpholine
CID 47520354
4-[3-(3-propan-2-ylphenoxy)propyl]morpholine
CID 42562888
N-[3-(2-morpholin-4-ylethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 95851842

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-2-hydroxy-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-2-hydroxy-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide (CID 44590856) is 2-(1-adamantyl)-2-hydroxy-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-2-hydroxy-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-2-hydroxy-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide is O=C(Nc1cccc(OCCCN2CCOCC2)c1)C(O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-2-hydroxy-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
The InChIKey is CQJKTTABBXYZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O4/c28-23(25-15-18-11-19(16-25)13-20(12-18)17-25)24(29)26-21-3-1-4-22(14-21)31-8-2-5-27-6-9-30-10-7-27/h1,3-4,14,18-20,23,28H,2,5-13,15-17H2,(H,26,29).
What are the key properties of 2-(1-adamantyl)-2-hydroxy-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
2-(1-adamantyl)-2-hydroxy-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide has a molecular weight of 428.57 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-2-hydroxy-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide is sourced from PubChem (CID 44590856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).