N-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;ethane

C13H30N2O3 — CID 176933448

IUPACN-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;ethane
SMILESCC.CCC(=O)N(CCOCCO)CCN(C)C
InChIInChI=1S/C11H24N2O3.C2H6/c1-4-11(15)13(6-5-12(2)3)7-9-16-10-8-14;1-2/h14H,4-10H2,1-3H3;1-2H3
InChIKeyUCDMACOTCNNOGL-UHFFFAOYSA-N
MW262.39 g/mol
LogP0.82
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;ethane

N-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;ethane (PubChem CID 176933448) has the molecular formula C13H30N2O3 and a molecular weight of 262.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;ethane.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;ethane
PubChem CID176933448
Molecular FormulaC13H30N2O3
Molecular Weight262.39 g/mol
Exact Mass262.23
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;ethane
SMILESCC.CCC(=O)N(CCOCCO)CCN(C)C
InChIInChI=1S/C11H24N2O3.C2H6/c1-4-11(15)13(6-5-12(2)3)7-9-16-10-8-14;1-2/h14H,4-10H2,1-3H3;1-2H3
InChIKeyUCDMACOTCNNOGL-UHFFFAOYSA-N
XLogP0.82
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 50.82
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

N,N-bis[2-(2-hydroxyethoxy)ethyl]propanamide
CID 91261493
2-[2-(dimethylamino)ethoxy]ethanol
CID 158737336
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
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]-N,N-dipentylacetamide
CID 175987160
N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4,4-dimethylpentanamide
CID 114263827
1-decyl-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,3-dimethylurea
CID 3648902
2-[2-[2-[2-[2-[2-[2-[2-[bis(2-ethoxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol
CID 146492334
2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2,2,2-trifluoroacetic acid
CID 175688444
2-[2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol
CID 54156133
4-[decyl-[2-(2-hydroxyethoxy)ethyl]amino]-4-oxobutanoic acid
CID 3642366
2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N,N-dimethylacetamide
CID 111332663

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;ethane?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;ethane (CID 176933448) is N-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;ethane.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;ethane?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;ethane is CC.CCC(=O)N(CCOCCO)CCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;ethane?
The InChIKey is UCDMACOTCNNOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3.C2H6/c1-4-11(15)13(6-5-12(2)3)7-9-16-10-8-14;1-2/h14H,4-10H2,1-3H3;1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;ethane?
N-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;ethane has a molecular weight of 262.39 g/mol, XLogP of 0.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;ethane is sourced from PubChem (CID 176933448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).