2-[2-(dimethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide

C12H19N3O2 — CID 116684905

IUPAC2-[2-(dimethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide
SMILESCN(C)CCNC(C(N)=O)c1ccccc1O
InChIInChI=1S/C12H19N3O2/c1-15(2)8-7-14-11(12(13)17)9-5-3-4-6-10(9)16/h3-6,11,14,16H,7-8H2,1-2H3,(H2,13,17)
InChIKeyQQMSFAKENXYSNG-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.07
Rot. Bonds6

About 2-[2-(dimethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide

2-[2-(dimethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide (PubChem CID 116684905) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide
PubChem CID116684905
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[2-(dimethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide
SMILESCN(C)CCNC(C(N)=O)c1ccccc1O
InChIInChI=1S/C12H19N3O2/c1-15(2)8-7-14-11(12(13)17)9-5-3-4-6-10(9)16/h3-6,11,14,16H,7-8H2,1-2H3,(H2,13,17)
InChIKeyQQMSFAKENXYSNG-UHFFFAOYSA-N
XLogP0.07
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2(1H)-Pyridinone, 5-ethyl-3-(((2-hydroxyphenyl)methyl)amino)-6-methyl-
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CID 12072107
L-Tyrosyl-D-alanyl-L-phenylalanyl-N-(1-phenylethyl)glycinamide
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide (CID 116684905) is 2-[2-(dimethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide is CN(C)CCNC(C(N)=O)c1ccccc1O.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide?
The InChIKey is QQMSFAKENXYSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15(2)8-7-14-11(12(13)17)9-5-3-4-6-10(9)16/h3-6,11,14,16H,7-8H2,1-2H3,(H2,13,17).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide?
2-[2-(dimethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide has a molecular weight of 237.30 g/mol, XLogP of 0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 116684905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).