N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylacetamide

C11H15NO2 — CID 130034284

IUPACN-[(2-hydroxy-5-methylphenyl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cc(C)ccc1O
InChIInChI=1S/C11H15NO2/c1-8-4-5-11(14)10(6-8)7-12(3)9(2)13/h4-6,14H,7H2,1-3H3
InChIKeyPVCSRCVRLHZWDU-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.68
Rot. Bonds2

About N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylacetamide

N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylacetamide (PubChem CID 130034284) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-methylphenyl)methyl]-N-methylacetamide
PubChem CID130034284
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-[(2-hydroxy-5-methylphenyl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cc(C)ccc1O
InChIInChI=1S/C11H15NO2/c1-8-4-5-11(14)10(6-8)7-12(3)9(2)13/h4-6,14H,7H2,1-3H3
InChIKeyPVCSRCVRLHZWDU-UHFFFAOYSA-N
XLogP1.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(2-hydroxy-5-methylphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 65061038
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
2-[[3-aminopropyl(methyl)amino]methyl]-4-methylphenol
CID 115318694
4-methyl-2-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82976772
N-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 930563
4-methyl-2-[[methyl(pentyl)amino]methyl]phenol
CID 82976648
4-[[(2-hydroxy-5-methylphenyl)methyl-methylamino]methyl]benzoic acid
CID 65056262
4-(furan-2-yl)-N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylbenzamide
CID 121269426
2-[3-[2-[[acetyl(methyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetic acid
CID 58149215
N-[(3-acetyl-4-hydroxyphenyl)methyl]-N-methylacetamide
CID 19045459
(E)-5-(2-hydroxy-5-methylphenyl)pent-3-en-2-one
CID 139494540
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-methylphenol
CID 82981814

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylacetamide?
The IUPAC name of N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylacetamide (CID 130034284) is N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylacetamide is CC(=O)N(C)Cc1cc(C)ccc1O.
What is the InChIKey of N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylacetamide?
The InChIKey is PVCSRCVRLHZWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-4-5-11(14)10(6-8)7-12(3)9(2)13/h4-6,14H,7H2,1-3H3.
What are the key properties of N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylacetamide?
N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylacetamide has a molecular weight of 193.25 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 130034284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).