3-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]propanamide;hydrochloride

C9H20ClN3O2 — CID 155820100

IUPAC3-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]propanamide;hydrochloride
SMILESCN(C)CCC(=O)NCC(=O)N(C)C.Cl
InChIInChI=1S/C9H19N3O2.ClH/c1-11(2)6-5-8(13)10-7-9(14)12(3)4;/h5-7H2,1-4H3,(H,10,13);1H
InChIKeyZEKCXPCEZFMUPV-UHFFFAOYSA-N
MW237.73 g/mol
LogP-0.44
Rot. Bonds5

About 3-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]propanamide;hydrochloride

3-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]propanamide;hydrochloride (PubChem CID 155820100) has the molecular formula C9H20ClN3O2 and a molecular weight of 237.73 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]propanamide;hydrochloride
PubChem CID155820100
Molecular FormulaC9H20ClN3O2
Molecular Weight237.73 g/mol
Exact Mass237.12
IUPAC Name3-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]propanamide;hydrochloride
SMILESCN(C)CCC(=O)NCC(=O)N(C)C.Cl
InChIInChI=1S/C9H19N3O2.ClH/c1-11(2)6-5-8(13)10-7-9(14)12(3)4;/h5-7H2,1-4H3,(H,10,13);1H
InChIKeyZEKCXPCEZFMUPV-UHFFFAOYSA-N
XLogP-0.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]propanamide;hydrochloride?
The IUPAC name of 3-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]propanamide;hydrochloride (CID 155820100) is 3-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]propanamide;hydrochloride?
The canonical SMILES for 3-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]propanamide;hydrochloride is CN(C)CCC(=O)NCC(=O)N(C)C.Cl.
What is the InChIKey of 3-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]propanamide;hydrochloride?
The InChIKey is ZEKCXPCEZFMUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2.ClH/c1-11(2)6-5-8(13)10-7-9(14)12(3)4;/h5-7H2,1-4H3,(H,10,13);1H.
What are the key properties of 3-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]propanamide;hydrochloride?
3-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]propanamide;hydrochloride has a molecular weight of 237.73 g/mol, XLogP of -0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]propanamide;hydrochloride is sourced from PubChem (CID 155820100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).