N-(2,5-dimethylphenyl)-3-hydroxyadamantane-1-carboxamide

C19H25NO2 — CID 4007957

IUPACN-(2,5-dimethylphenyl)-3-hydroxyadamantane-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)C23CC4CC(CC(O)(C4)C2)C3)c1
InChIInChI=1S/C19H25NO2/c1-12-3-4-13(2)16(5-12)20-17(21)18-7-14-6-15(8-18)10-19(22,9-14)11-18/h3-5,14-15,22H,6-11H2,1-2H3,(H,20,21)
InChIKeyUVKPPPDEDADINW-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.57
Rot. Bonds2

About N-(2,5-dimethylphenyl)-3-hydroxyadamantane-1-carboxamide

N-(2,5-dimethylphenyl)-3-hydroxyadamantane-1-carboxamide (PubChem CID 4007957) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-hydroxyadamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-hydroxyadamantane-1-carboxamide
PubChem CID4007957
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-(2,5-dimethylphenyl)-3-hydroxyadamantane-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)C23CC4CC(CC(O)(C4)C2)C3)c1
InChIInChI=1S/C19H25NO2/c1-12-3-4-13(2)16(5-12)20-17(21)18-7-14-6-15(8-18)10-19(22,9-14)11-18/h3-5,14-15,22H,6-11H2,1-2H3,(H,20,21)
InChIKeyUVKPPPDEDADINW-UHFFFAOYSA-N
XLogP3.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydroindol-1-yl-(3-hydroxy-1-adamantyl)methanone
CID 71719542
2-(1-adamantyl)-N-(2-methylphenyl)acetamide
CID 5151658
3-Benzyl-N-(2,5-dimethyl-phenyl)-succinamic acid
CID 3101192
1-Adamantanecarboxamide, N-(3-methylphenyl)-
CID 532251
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-hydroxyadamantane-1-carboxamide
CID 24686599
N-(2-methylphenyl)adamantane-1-carboxamide
CID 5038388
(1R,4aS,10aR)-6-acetamido-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
CID 44580651
(1R,4aS,10aR)-6-(cyclohexanecarbonylamino)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
CID 44580693
(1R,4aS,10aR)-1,4a-dimethyl-6-[(2-phenylacetyl)amino]-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
CID 44580732
(1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-N-phenyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxamide
CID 71601547
(E)-3-[(2S,4aR,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picen-2-yl]-N-(3-methylphenyl)prop-2-enamide
CID 145957675
N-(4-chlorophenyl)-3-hydroxyadamantane-1-carboxamide
CID 4849810

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-hydroxyadamantane-1-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-hydroxyadamantane-1-carboxamide (CID 4007957) is N-(2,5-dimethylphenyl)-3-hydroxyadamantane-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-hydroxyadamantane-1-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-hydroxyadamantane-1-carboxamide is Cc1ccc(C)c(NC(=O)C23CC4CC(CC(O)(C4)C2)C3)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-hydroxyadamantane-1-carboxamide?
The InChIKey is UVKPPPDEDADINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-12-3-4-13(2)16(5-12)20-17(21)18-7-14-6-15(8-18)10-19(22,9-14)11-18/h3-5,14-15,22H,6-11H2,1-2H3,(H,20,21).
What are the key properties of N-(2,5-dimethylphenyl)-3-hydroxyadamantane-1-carboxamide?
N-(2,5-dimethylphenyl)-3-hydroxyadamantane-1-carboxamide has a molecular weight of 299.41 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-hydroxyadamantane-1-carboxamide is sourced from PubChem (CID 4007957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).