N-[(2-hydroxy-2-adamantyl)methyl]-2-(3-hydroxyphenyl)acetamide

C19H25NO3 — CID 91789520

IUPACN-[(2-hydroxy-2-adamantyl)methyl]-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H25NO3/c21-17-3-1-2-12(9-17)10-18(22)20-11-19(23)15-5-13-4-14(7-15)8-16(19)6-13/h1-3,9,13-16,21,23H,4-8,10-11H2,(H,20,22)
InChIKeyAWSKZTGSLULIAF-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.24
Rot. Bonds4

About N-[(2-hydroxy-2-adamantyl)methyl]-2-(3-hydroxyphenyl)acetamide

N-[(2-hydroxy-2-adamantyl)methyl]-2-(3-hydroxyphenyl)acetamide (PubChem CID 91789520) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is N-[(2-hydroxy-2-adamantyl)methyl]-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-2-adamantyl)methyl]-2-(3-hydroxyphenyl)acetamide
PubChem CID91789520
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC NameN-[(2-hydroxy-2-adamantyl)methyl]-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H25NO3/c21-17-3-1-2-12(9-17)10-18(22)20-11-19(23)15-5-13-4-14(7-15)8-16(19)6-13/h1-3,9,13-16,21,23H,4-8,10-11H2,(H,20,22)
InChIKeyAWSKZTGSLULIAF-UHFFFAOYSA-N
XLogP2.24
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopropylcyclopropyl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 103841045
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(3-hydroxyphenyl)acetamide
CID 115455953
2-(3-hydroxyphenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78957138
N-[(2-methoxy-2-adamantyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 90624100
2-(3-hydroxyphenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]acetamide
CID 103801681
N-(2-azabicyclo[4.1.0]heptan-6-ylmethyl)-2-(3-hydroxyphenyl)acetamide
CID 167990501
N-[(3-aminocyclopentyl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 114146228
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(3-hydroxyphenyl)acetamide
CID 61399479
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 61399758
N-(2-chloro-2-cyclopropylethyl)-2-(3-hydroxyphenyl)acetamide
CID 114305087
N-(2-cyclopropylpropyl)-2-(3-hydroxyphenyl)acetamide
CID 115603624
2-(3-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide
CID 113235632

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-2-adamantyl)methyl]-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-[(2-hydroxy-2-adamantyl)methyl]-2-(3-hydroxyphenyl)acetamide (CID 91789520) is N-[(2-hydroxy-2-adamantyl)methyl]-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[(2-hydroxy-2-adamantyl)methyl]-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-[(2-hydroxy-2-adamantyl)methyl]-2-(3-hydroxyphenyl)acetamide is O=C(Cc1cccc(O)c1)NCC1(O)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[(2-hydroxy-2-adamantyl)methyl]-2-(3-hydroxyphenyl)acetamide?
The InChIKey is AWSKZTGSLULIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c21-17-3-1-2-12(9-17)10-18(22)20-11-19(23)15-5-13-4-14(7-15)8-16(19)6-13/h1-3,9,13-16,21,23H,4-8,10-11H2,(H,20,22).
What are the key properties of N-[(2-hydroxy-2-adamantyl)methyl]-2-(3-hydroxyphenyl)acetamide?
N-[(2-hydroxy-2-adamantyl)methyl]-2-(3-hydroxyphenyl)acetamide has a molecular weight of 315.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-2-adamantyl)methyl]-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 91789520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).