2-(3-hydroxy-1-adamantyl)-N-(2-hydroxy-4-methylphenyl)acetamide

C19H25NO3 — CID 24540776

IUPAC2-(3-hydroxy-1-adamantyl)-N-(2-hydroxy-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC23CC4CC(CC(O)(C4)C2)C3)c(O)c1
InChIInChI=1S/C19H25NO3/c1-12-2-3-15(16(21)4-12)20-17(22)10-18-6-13-5-14(7-18)9-19(23,8-13)11-18/h2-4,13-14,21,23H,5-11H2,1H3,(H,20,22)
InChIKeyONXRSDZWFNSYMM-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.36
Rot. Bonds3

About 2-(3-hydroxy-1-adamantyl)-N-(2-hydroxy-4-methylphenyl)acetamide

2-(3-hydroxy-1-adamantyl)-N-(2-hydroxy-4-methylphenyl)acetamide (PubChem CID 24540776) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-(3-hydroxy-1-adamantyl)-N-(2-hydroxy-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxy-1-adamantyl)-N-(2-hydroxy-4-methylphenyl)acetamide
PubChem CID24540776
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-(3-hydroxy-1-adamantyl)-N-(2-hydroxy-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC23CC4CC(CC(O)(C4)C2)C3)c(O)c1
InChIInChI=1S/C19H25NO3/c1-12-2-3-15(16(21)4-12)20-17(22)10-18-6-13-5-14(7-18)9-19(23,8-13)11-18/h2-4,13-14,21,23H,5-11H2,1H3,(H,20,22)
InChIKeyONXRSDZWFNSYMM-UHFFFAOYSA-N
XLogP3.36
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetamide
CID 9034291
2-(1-adamantyl)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 3340169
methyl 3-[[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]amino]-4-methylbenzoate
CID 9378234
2-(3-hydroxy-1-adamantyl)-N-phenylacetamide
CID 18104229
2-(1-hydroxycyclopentyl)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 111430326
2-[(5R,7R)-3-hydroxy-1-adamantyl]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 98320891
2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 9270815
N-[4-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-3-methylbutanamide
CID 42944699
[2-(4-methylanilino)-2-oxoethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate
CID 9126908
N-[3-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 42942168
[2-(3-methylanilino)-2-oxoethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate
CID 9126869
2-[1-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 8893573

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-1-adamantyl)-N-(2-hydroxy-4-methylphenyl)acetamide?
The IUPAC name of 2-(3-hydroxy-1-adamantyl)-N-(2-hydroxy-4-methylphenyl)acetamide (CID 24540776) is 2-(3-hydroxy-1-adamantyl)-N-(2-hydroxy-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-hydroxy-1-adamantyl)-N-(2-hydroxy-4-methylphenyl)acetamide?
The canonical SMILES for 2-(3-hydroxy-1-adamantyl)-N-(2-hydroxy-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CC23CC4CC(CC(O)(C4)C2)C3)c(O)c1.
What is the InChIKey of 2-(3-hydroxy-1-adamantyl)-N-(2-hydroxy-4-methylphenyl)acetamide?
The InChIKey is ONXRSDZWFNSYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-12-2-3-15(16(21)4-12)20-17(22)10-18-6-13-5-14(7-18)9-19(23,8-13)11-18/h2-4,13-14,21,23H,5-11H2,1H3,(H,20,22).
What are the key properties of 2-(3-hydroxy-1-adamantyl)-N-(2-hydroxy-4-methylphenyl)acetamide?
2-(3-hydroxy-1-adamantyl)-N-(2-hydroxy-4-methylphenyl)acetamide has a molecular weight of 315.41 g/mol, XLogP of 3.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-1-adamantyl)-N-(2-hydroxy-4-methylphenyl)acetamide is sourced from PubChem (CID 24540776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).