3-(dimethylamino)-N,N-bis(2-hydroxyethyl)propanamide;ethane

C13H32N2O3 — CID 168940710

IUPAC3-(dimethylamino)-N,N-bis(2-hydroxyethyl)propanamide;ethane
SMILESCC.CC.CN(C)CCC(=O)N(CCO)CCO
InChIInChI=1S/C9H20N2O3.2C2H6/c1-10(2)4-3-9(14)11(5-7-12)6-8-13;2*1-2/h12-13H,3-8H2,1-2H3;2*1-2H3
InChIKeyQPRKKETXGWXNLM-UHFFFAOYSA-N
MW264.41 g/mol
LogP0.80
Rot. Bonds7

About 3-(dimethylamino)-N,N-bis(2-hydroxyethyl)propanamide;ethane

3-(dimethylamino)-N,N-bis(2-hydroxyethyl)propanamide;ethane (PubChem CID 168940710) has the molecular formula C13H32N2O3 and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-(dimethylamino)-N,N-bis(2-hydroxyethyl)propanamide;ethane.

Molecular Properties

Compound Name3-(dimethylamino)-N,N-bis(2-hydroxyethyl)propanamide;ethane
PubChem CID168940710
Molecular FormulaC13H32N2O3
Molecular Weight264.41 g/mol
Exact Mass264.24
IUPAC Name3-(dimethylamino)-N,N-bis(2-hydroxyethyl)propanamide;ethane
SMILESCC.CC.CN(C)CCC(=O)N(CCO)CCO
InChIInChI=1S/C9H20N2O3.2C2H6/c1-10(2)4-3-9(14)11(5-7-12)6-8-13;2*1-2/h12-13H,3-8H2,1-2H3;2*1-2H3
InChIKeyQPRKKETXGWXNLM-UHFFFAOYSA-N
XLogP0.80
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(2-hydroxyethyl)butanamide
CID 14455174
N',N'-bis(2-hydroxyethyl)-N,N-dimethylpentanediamide
CID 169291277
N,N-bis(2-hydroxyethyl)-3-methylsulfanylpropanamide
CID 61235441
3-(dimethylamino)-N,N-dimethylpropanamide;hydrochloride
CID 146155865
2-[2-(dimethylamino)ethyl-[3-(dimethylamino)propanoyl]amino]acetic acid
CID 107423497
N-[2-(dimethylamino)ethyl]-5-hydroxy-N-propylpentanamide
CID 79209171
4-chloro-N,N-bis(2-hydroxyethyl)butanamide
CID 63307970
N,N-bis(2-hydroxyethyl)-2-methoxyacetamide;ethane
CID 145142021
3-amino-N-hexyl-N-(2-hydroxyethyl)propanamide
CID 60962564
N,N'-bis(2-hydroxyethyl)-N,N'-bis(2-hydroxypropyl)hexanediamide
CID 139337163
2-[2-(dimethylamino)ethylsulfanyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 137466262
5-[dodecyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 3327621

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N,N-bis(2-hydroxyethyl)propanamide;ethane?
The IUPAC name of 3-(dimethylamino)-N,N-bis(2-hydroxyethyl)propanamide;ethane (CID 168940710) is 3-(dimethylamino)-N,N-bis(2-hydroxyethyl)propanamide;ethane.
What is the SMILES notation for 3-(dimethylamino)-N,N-bis(2-hydroxyethyl)propanamide;ethane?
The canonical SMILES for 3-(dimethylamino)-N,N-bis(2-hydroxyethyl)propanamide;ethane is CC.CC.CN(C)CCC(=O)N(CCO)CCO.
What is the InChIKey of 3-(dimethylamino)-N,N-bis(2-hydroxyethyl)propanamide;ethane?
The InChIKey is QPRKKETXGWXNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3.2C2H6/c1-10(2)4-3-9(14)11(5-7-12)6-8-13;2*1-2/h12-13H,3-8H2,1-2H3;2*1-2H3.
What are the key properties of 3-(dimethylamino)-N,N-bis(2-hydroxyethyl)propanamide;ethane?
3-(dimethylamino)-N,N-bis(2-hydroxyethyl)propanamide;ethane has a molecular weight of 264.41 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N,N-bis(2-hydroxyethyl)propanamide;ethane is sourced from PubChem (CID 168940710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).