2-[(3-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide

C12H18N2O2 — CID 79672932

IUPAC2-[(3-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
SMILESCN(CC(=O)N(C)C)Cc1cccc(O)c1
InChIInChI=1S/C12H18N2O2/c1-13(2)12(16)9-14(3)8-10-5-4-6-11(15)7-10/h4-7,15H,8-9H2,1-3H3
InChIKeyYBXQVIRSQFLQEU-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.91
Rot. Bonds4

About 2-[(3-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide

2-[(3-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide (PubChem CID 79672932) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(3-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
PubChem CID79672932
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[(3-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
SMILESCN(CC(=O)N(C)C)Cc1cccc(O)c1
InChIInChI=1S/C12H18N2O2/c1-13(2)12(16)9-14(3)8-10-5-4-6-11(15)7-10/h4-7,15H,8-9H2,1-3H3
InChIKeyYBXQVIRSQFLQEU-UHFFFAOYSA-N
XLogP0.91
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
CID 22070428
2-[(4-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 82972700
2-[(3-amino-4-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 43376088
2-[(3-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 79673031
2-[(3-hydroxyphenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 79670313
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
3-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol
CID 79672837
2-[(3-hydroxy-4-methoxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 79833184
N-[2-(dimethylamino)-2-oxoethyl]-2-(3-hydroxyphenyl)acetamide
CID 61399713
N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 54874125
2-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 82977349
2-[4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 105345673

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide (CID 79672932) is 2-[(3-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide is CN(CC(=O)N(C)C)Cc1cccc(O)c1.
What is the InChIKey of 2-[(3-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide?
The InChIKey is YBXQVIRSQFLQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-13(2)12(16)9-14(3)8-10-5-4-6-11(15)7-10/h4-7,15H,8-9H2,1-3H3.
What are the key properties of 2-[(3-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide?
2-[(3-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 222.29 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 79672932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).