2-hydroxy-N-(2-hydroxy-5-propan-2-ylphenyl)-2-(2-methoxyphenyl)acetamide

C18H21NO4 — CID 166284434

IUPAC2-hydroxy-N-(2-hydroxy-5-propan-2-ylphenyl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1C(O)C(=O)Nc1cc(C(C)C)ccc1O
InChIInChI=1S/C18H21NO4/c1-11(2)12-8-9-15(20)14(10-12)19-18(22)17(21)13-6-4-5-7-16(13)23-3/h4-11,17,20-21H,1-3H3,(H,19,22)
InChIKeyMJBXYQWJFRROSJ-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.20
Rot. Bonds5

About 2-hydroxy-N-(2-hydroxy-5-propan-2-ylphenyl)-2-(2-methoxyphenyl)acetamide

2-hydroxy-N-(2-hydroxy-5-propan-2-ylphenyl)-2-(2-methoxyphenyl)acetamide (PubChem CID 166284434) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-hydroxy-N-(2-hydroxy-5-propan-2-ylphenyl)-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-hydroxy-5-propan-2-ylphenyl)-2-(2-methoxyphenyl)acetamide
PubChem CID166284434
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name2-hydroxy-N-(2-hydroxy-5-propan-2-ylphenyl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1C(O)C(=O)Nc1cc(C(C)C)ccc1O
InChIInChI=1S/C18H21NO4/c1-11(2)12-8-9-15(20)14(10-12)19-18(22)17(21)13-6-4-5-7-16(13)23-3/h4-11,17,20-21H,1-3H3,(H,19,22)
InChIKeyMJBXYQWJFRROSJ-UHFFFAOYSA-N
XLogP3.20
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]-2-methylpropanamide
CID 17099665
(2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 35922425
2-(2-methoxy-5-propan-2-ylphenyl)-N'-methylpropanehydrazide
CID 116847004
2-hydroxy-N-(2-methoxy-5-propan-2-ylphenyl)acetamide
CID 115139566
N-(2-hydroxy-5-phenylphenyl)-2-methoxybenzamide
CID 3265384
1-(3,4-dimethoxyphenyl)-1-hydroxy-3-(2-hydroxyphenyl)propan-2-one
CID 141195556
2-acetamido-N-(2-methoxy-5-propan-2-ylphenyl)acetamide
CID 71156213
amino-(2-methoxy-5-propan-2-ylphenyl)methanol
CID 116939602
(2-methoxy-5-propan-2-ylphenyl)-(methylamino)methanol
CID 116954637
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
methyl 4-[hydroxy-[2-[(2-methoxybenzoyl)amino]phenyl]methyl]benzoate
CID 71596281

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-hydroxy-5-propan-2-ylphenyl)-2-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-hydroxy-N-(2-hydroxy-5-propan-2-ylphenyl)-2-(2-methoxyphenyl)acetamide (CID 166284434) is 2-hydroxy-N-(2-hydroxy-5-propan-2-ylphenyl)-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-hydroxy-N-(2-hydroxy-5-propan-2-ylphenyl)-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-hydroxy-N-(2-hydroxy-5-propan-2-ylphenyl)-2-(2-methoxyphenyl)acetamide is COc1ccccc1C(O)C(=O)Nc1cc(C(C)C)ccc1O.
What is the InChIKey of 2-hydroxy-N-(2-hydroxy-5-propan-2-ylphenyl)-2-(2-methoxyphenyl)acetamide?
The InChIKey is MJBXYQWJFRROSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-11(2)12-8-9-15(20)14(10-12)19-18(22)17(21)13-6-4-5-7-16(13)23-3/h4-11,17,20-21H,1-3H3,(H,19,22).
What are the key properties of 2-hydroxy-N-(2-hydroxy-5-propan-2-ylphenyl)-2-(2-methoxyphenyl)acetamide?
2-hydroxy-N-(2-hydroxy-5-propan-2-ylphenyl)-2-(2-methoxyphenyl)acetamide has a molecular weight of 315.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-hydroxy-5-propan-2-ylphenyl)-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 166284434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).