3-hydroxy-N-(4-morpholin-4-ylphenyl)adamantane-1-carboxamide

C21H28N2O3 — CID 4835232

IUPAC3-hydroxy-N-(4-morpholin-4-ylphenyl)adamantane-1-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C21H28N2O3/c24-19(20-10-15-9-16(11-20)13-21(25,12-15)14-20)22-17-1-3-18(4-2-17)23-5-7-26-8-6-23/h1-4,15-16,25H,5-14H2,(H,22,24)
InChIKeyLTFSUEXZZGAQMY-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.79
Rot. Bonds3

About 3-hydroxy-N-(4-morpholin-4-ylphenyl)adamantane-1-carboxamide

3-hydroxy-N-(4-morpholin-4-ylphenyl)adamantane-1-carboxamide (PubChem CID 4835232) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-hydroxy-N-(4-morpholin-4-ylphenyl)adamantane-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(4-morpholin-4-ylphenyl)adamantane-1-carboxamide
PubChem CID4835232
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name3-hydroxy-N-(4-morpholin-4-ylphenyl)adamantane-1-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C21H28N2O3/c24-19(20-10-15-9-16(11-20)13-21(25,12-15)14-20)22-17-1-3-18(4-2-17)23-5-7-26-8-6-23/h1-4,15-16,25H,5-14H2,(H,22,24)
InChIKeyLTFSUEXZZGAQMY-UHFFFAOYSA-N
XLogP2.79
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-hydroxy-N-(4-morpholin-4-ylphenyl)adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-(6-morpholin-4-yl-3-pyridinyl)adamantane-1-carboxamide
CID 17438019
2-(1-adamantyl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 3158011
N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide
CID 3152021
1-adamantyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 7494662
N-(4-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide
CID 3585715
2-(3-hydroxy-1-adamantyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 24620546
2-hydrazinyl-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide
CID 59464167
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
[(5S,7R)-3-hydroxy-1-adamantyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 8921785
4-[[(3S,6R)-tricyclo[4.3.1.13,8]undecane-1-carbonyl]amino]benzoic acid
CID 6990096
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]adamantane-1-carboxamide
CID 110352818
(5S,7R)-3-bromo-N-(4-chlorophenyl)adamantane-1-carboxamide
CID 8762451

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(4-morpholin-4-ylphenyl)adamantane-1-carboxamide?
The IUPAC name of 3-hydroxy-N-(4-morpholin-4-ylphenyl)adamantane-1-carboxamide (CID 4835232) is 3-hydroxy-N-(4-morpholin-4-ylphenyl)adamantane-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(4-morpholin-4-ylphenyl)adamantane-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-(4-morpholin-4-ylphenyl)adamantane-1-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 3-hydroxy-N-(4-morpholin-4-ylphenyl)adamantane-1-carboxamide?
The InChIKey is LTFSUEXZZGAQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c24-19(20-10-15-9-16(11-20)13-21(25,12-15)14-20)22-17-1-3-18(4-2-17)23-5-7-26-8-6-23/h1-4,15-16,25H,5-14H2,(H,22,24).
What are the key properties of 3-hydroxy-N-(4-morpholin-4-ylphenyl)adamantane-1-carboxamide?
3-hydroxy-N-(4-morpholin-4-ylphenyl)adamantane-1-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(4-morpholin-4-ylphenyl)adamantane-1-carboxamide is sourced from PubChem (CID 4835232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).