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

C24H33N3O4 — CID 24620546

IUPAC2-(3-hydroxy-1-adamantyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(NC(=O)CC23CC4CC(CC(O)(C4)C2)C3)cc1
InChIInChI=1S/C24H33N3O4/c28-21(14-23-10-17-9-18(11-23)13-24(30,12-17)16-23)25-19-1-3-20(4-2-19)26-22(29)15-27-5-7-31-8-6-27/h1-4,17-18,30H,5-16H2,(H,25,28)(H,26,29)
InChIKeyUZPRCRJRFYCUDV-UHFFFAOYSA-N
MW427.55 g/mol
LogP2.62
Rot. Bonds6

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

2-(3-hydroxy-1-adamantyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide (PubChem CID 24620546) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-(3-hydroxy-1-adamantyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxy-1-adamantyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
PubChem CID24620546
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name2-(3-hydroxy-1-adamantyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(NC(=O)CC23CC4CC(CC(O)(C4)C2)C3)cc1
InChIInChI=1S/C24H33N3O4/c28-21(14-23-10-17-9-18(11-23)13-24(30,12-17)16-23)25-19-1-3-20(4-2-19)26-22(29)15-27-5-7-31-8-6-27/h1-4,17-18,30H,5-16H2,(H,25,28)(H,26,29)
InChIKeyUZPRCRJRFYCUDV-UHFFFAOYSA-N
XLogP2.62
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[4-[2-(3-hydroxy-1-adamantyl)acetyl]piperazin-1-yl]acetamide
CID 24547641
N-(4-fluorophenyl)-2-[4-[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]piperazin-1-yl]acetamide
CID 9405187
2-(3-hydroxy-1-adamantyl)-N-phenylacetamide
CID 18104229
2-(1-adamantyl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 3158011
N-[4-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-3-methylbutanamide
CID 42944699
2-(3-hydroxy-1-adamantyl)-N-[4-(triazol-2-yl)phenyl]acetamide
CID 51117266
N-(4-iodophenyl)-2-morpholin-4-ylacetamide
CID 677187
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 9277369
N-(4-cyclohexylphenyl)-2-morpholin-4-ylacetamide
CID 651814
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
3-hydroxy-N-(4-morpholin-4-ylphenyl)adamantane-1-carboxamide
CID 4835232

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-1-adamantyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide?
The IUPAC name of 2-(3-hydroxy-1-adamantyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide (CID 24620546) is 2-(3-hydroxy-1-adamantyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(3-hydroxy-1-adamantyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide?
The canonical SMILES for 2-(3-hydroxy-1-adamantyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide is O=C(CN1CCOCC1)Nc1ccc(NC(=O)CC23CC4CC(CC(O)(C4)C2)C3)cc1.
What is the InChIKey of 2-(3-hydroxy-1-adamantyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide?
The InChIKey is UZPRCRJRFYCUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c28-21(14-23-10-17-9-18(11-23)13-24(30,12-17)16-23)25-19-1-3-20(4-2-19)26-22(29)15-27-5-7-31-8-6-27/h1-4,17-18,30H,5-16H2,(H,25,28)(H,26,29).
What are the key properties of 2-(3-hydroxy-1-adamantyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide?
2-(3-hydroxy-1-adamantyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide has a molecular weight of 427.55 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-1-adamantyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide is sourced from PubChem (CID 24620546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).