N,N-diethyl-2-[3-(2-hydroxyethoxy)propylamino]propanamide

C12H26N2O3 — CID 114171795

IUPACN,N-diethyl-2-[3-(2-hydroxyethoxy)propylamino]propanamide
SMILESCCN(CC)C(=O)C(C)NCCCOCCO
InChIInChI=1S/C12H26N2O3/c1-4-14(5-2)12(16)11(3)13-7-6-9-17-10-8-15/h11,13,15H,4-10H2,1-3H3
InChIKeyHFXIBNCJCJZJIW-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.23
Rot. Bonds10

About N,N-diethyl-2-[3-(2-hydroxyethoxy)propylamino]propanamide

N,N-diethyl-2-[3-(2-hydroxyethoxy)propylamino]propanamide (PubChem CID 114171795) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is N,N-diethyl-2-[3-(2-hydroxyethoxy)propylamino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[3-(2-hydroxyethoxy)propylamino]propanamide
PubChem CID114171795
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC NameN,N-diethyl-2-[3-(2-hydroxyethoxy)propylamino]propanamide
SMILESCCN(CC)C(=O)C(C)NCCCOCCO
InChIInChI=1S/C12H26N2O3/c1-4-14(5-2)12(16)11(3)13-7-6-9-17-10-8-15/h11,13,15H,4-10H2,1-3H3
InChIKeyHFXIBNCJCJZJIW-UHFFFAOYSA-N
XLogP0.23
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.23
H-Bond Donors ≤ 52
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-diethyl-2-(3-fluoropropylamino)propanamide
CID 115731800
2-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylpropanamide
CID 60672617
4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoic acid
CID 43473350
2-(2-but-3-enoxyethylamino)-N,N-diethylpropanamide
CID 103852838
2-(3-ethoxypropylamino)-N,N-dimethylpropanamide
CID 43086240
ethyl 4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60720402
ethyl 3-[3-(2-hydroxyethoxy)propylamino]butanoate
CID 106305458
2-[3-(2-hydroxyethoxy)propylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106309732
(2R)-2-[3-(2-methoxyethoxy)propylamino]propanoic acid
CID 103410935
methyl 3-[3-(2-hydroxyethoxy)propylamino]-2-methylbutanoate
CID 106305528
2-[3-(2-hydroxyethoxy)propylamino]butanamide
CID 106309792
2-[2-(dimethylcarbamoylamino)ethylamino]-N,N-diethylpropanamide
CID 83120791

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-(2-hydroxyethoxy)propylamino]propanamide?
The IUPAC name of N,N-diethyl-2-[3-(2-hydroxyethoxy)propylamino]propanamide (CID 114171795) is N,N-diethyl-2-[3-(2-hydroxyethoxy)propylamino]propanamide.
What is the SMILES notation for N,N-diethyl-2-[3-(2-hydroxyethoxy)propylamino]propanamide?
The canonical SMILES for N,N-diethyl-2-[3-(2-hydroxyethoxy)propylamino]propanamide is CCN(CC)C(=O)C(C)NCCCOCCO.
What is the InChIKey of N,N-diethyl-2-[3-(2-hydroxyethoxy)propylamino]propanamide?
The InChIKey is HFXIBNCJCJZJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-4-14(5-2)12(16)11(3)13-7-6-9-17-10-8-15/h11,13,15H,4-10H2,1-3H3.
What are the key properties of N,N-diethyl-2-[3-(2-hydroxyethoxy)propylamino]propanamide?
N,N-diethyl-2-[3-(2-hydroxyethoxy)propylamino]propanamide has a molecular weight of 246.35 g/mol, XLogP of 0.23, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-(2-hydroxyethoxy)propylamino]propanamide is sourced from PubChem (CID 114171795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).