2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N,N-dimethylacetamide

C9H20N2O3 — CID 111332663

IUPAC2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N,N-dimethylacetamide
SMILESCN(CCOCCO)CC(=O)N(C)C
InChIInChI=1S/C9H20N2O3/c1-10(2)9(13)8-11(3)4-6-14-7-5-12/h12H,4-8H2,1-3H3
InChIKeyVALHSPNVOLQNRZ-UHFFFAOYSA-N
MW204.27 g/mol
LogP-0.98
Rot. Bonds7

About 2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N,N-dimethylacetamide

2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N,N-dimethylacetamide (PubChem CID 111332663) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N,N-dimethylacetamide
PubChem CID111332663
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N,N-dimethylacetamide
SMILESCN(CCOCCO)CC(=O)N(C)C
InChIInChI=1S/C9H20N2O3/c1-10(2)9(13)8-11(3)4-6-14-7-5-12/h12H,4-8H2,1-3H3
InChIKeyVALHSPNVOLQNRZ-UHFFFAOYSA-N
XLogP-0.98
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide
CID 114243599
methyl 3-[2-(2-hydroxyethoxy)ethyl-methylamino]propanoate
CID 62010681
N,N-dimethylacetamide;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 175584179
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 89226278
2-[2-(dimethylamino)ethoxy]ethanol
CID 158737336
N,N-bis[2-(2-hydroxyethoxy)ethyl]propanamide
CID 91261493
2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
CID 61490462
1-(4-fluorophenyl)-3-[2-(2-hydroxyethoxy)ethyl-methylamino]propan-2-one
CID 114243242
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 154730088
1-[2-ethoxyethyl(methyl)amino]butan-2-one
CID 81057911
2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]ethanol
CID 61072006
2-[2-[(4-methoxyphenyl)methyl-methylamino]ethoxy]ethanol
CID 61417751

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N,N-dimethylacetamide (CID 111332663) is 2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N,N-dimethylacetamide is CN(CCOCCO)CC(=O)N(C)C.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N,N-dimethylacetamide?
The InChIKey is VALHSPNVOLQNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-10(2)9(13)8-11(3)4-6-14-7-5-12/h12H,4-8H2,1-3H3.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N,N-dimethylacetamide?
2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 204.27 g/mol, XLogP of -0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 111332663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).