2-[(2-hydroxy-3-methylphenyl)methyl-propan-2-ylamino]acetamide

C13H20N2O2 — CID 112553358

IUPAC2-[(2-hydroxy-3-methylphenyl)methyl-propan-2-ylamino]acetamide
SMILESCc1cccc(CN(CC(N)=O)C(C)C)c1O
InChIInChI=1S/C13H20N2O2/c1-9(2)15(8-12(14)16)7-11-6-4-5-10(3)13(11)17/h4-6,9,17H,7-8H2,1-3H3,(H2,14,16)
InChIKeyUFQBAIJPYXIBAI-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.40
Rot. Bonds5

About 2-[(2-hydroxy-3-methylphenyl)methyl-propan-2-ylamino]acetamide

2-[(2-hydroxy-3-methylphenyl)methyl-propan-2-ylamino]acetamide (PubChem CID 112553358) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methylphenyl)methyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methylphenyl)methyl-propan-2-ylamino]acetamide
PubChem CID112553358
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[(2-hydroxy-3-methylphenyl)methyl-propan-2-ylamino]acetamide
SMILESCc1cccc(CN(CC(N)=O)C(C)C)c1O
InChIInChI=1S/C13H20N2O2/c1-9(2)15(8-12(14)16)7-11-6-4-5-10(3)13(11)17/h4-6,9,17H,7-8H2,1-3H3,(H2,14,16)
InChIKeyUFQBAIJPYXIBAI-UHFFFAOYSA-N
XLogP1.40
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2(1H)-Pyridinone, 5-ethyl-3-(((2-hydroxyphenyl)methyl)amino)-6-methyl-
CID 454357
2-[[2-[(2-Hydroxy-5-methylphenyl)methylamino]ethylamino]methyl]-4-methylphenol
CID 3627083
(((2-Aminoethyl)amino)methyl)phenol
CID 3033857
Phenol, (((2-((2-aminoethyl)amino)ethyl)amino)methyl)-
CID 162109
4Y92H9UU7Y
CID 156028130
O-Desmethyl-o-hydroxylacosamide
CID 156596912
4-Ethyl-2-[[2-[(5-ethyl-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
CID 3843205
alpha,alpha'-Bis(dimethylamino)-2,6-xylenol
CID 85127
N,N-dimethyl-N'-(2-hydroxy-3-methyl-5-iodobenzyl)-1,3-propane diamine
CID 20471564
2-(4-benzylpiperazin-1-yl)-N'-[(2-hydroxy-3-prop-2-enylphenyl)methyl]acetohydrazide
CID 25118012
2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxyphenyl)methyl]acetamide
CID 25118358
Phenol, 2-[(dimethylamino)methyl]-6-methyl-
CID 121050

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methylphenyl)methyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(2-hydroxy-3-methylphenyl)methyl-propan-2-ylamino]acetamide (CID 112553358) is 2-[(2-hydroxy-3-methylphenyl)methyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(2-hydroxy-3-methylphenyl)methyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(2-hydroxy-3-methylphenyl)methyl-propan-2-ylamino]acetamide is Cc1cccc(CN(CC(N)=O)C(C)C)c1O.
What is the InChIKey of 2-[(2-hydroxy-3-methylphenyl)methyl-propan-2-ylamino]acetamide?
The InChIKey is UFQBAIJPYXIBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)15(8-12(14)16)7-11-6-4-5-10(3)13(11)17/h4-6,9,17H,7-8H2,1-3H3,(H2,14,16).
What are the key properties of 2-[(2-hydroxy-3-methylphenyl)methyl-propan-2-ylamino]acetamide?
2-[(2-hydroxy-3-methylphenyl)methyl-propan-2-ylamino]acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methylphenyl)methyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 112553358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).