N-(3-hydroxypropyl)-2-(methylamino)acetamide;hydrochloride

C6H15ClN2O2 — CID 56832092

IUPACN-(3-hydroxypropyl)-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NCCCO.Cl
InChIInChI=1S/C6H14N2O2.ClH/c1-7-5-6(10)8-3-2-4-9;/h7,9H,2-5H2,1H3,(H,8,10);1H
InChIKeyQYDQJARQJYHLGT-UHFFFAOYSA-N
MW182.65 g/mol
LogP-0.87
Rot. Bonds5

About N-(3-hydroxypropyl)-2-(methylamino)acetamide;hydrochloride

N-(3-hydroxypropyl)-2-(methylamino)acetamide;hydrochloride (PubChem CID 56832092) has the molecular formula C6H15ClN2O2 and a molecular weight of 182.65 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-(methylamino)acetamide;hydrochloride
PubChem CID56832092
Molecular FormulaC6H15ClN2O2
Molecular Weight182.65 g/mol
Exact Mass182.08
IUPAC NameN-(3-hydroxypropyl)-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NCCCO.Cl
InChIInChI=1S/C6H14N2O2.ClH/c1-7-5-6(10)8-3-2-4-9;/h7,9H,2-5H2,1H3,(H,8,10);1H
InChIKeyQYDQJARQJYHLGT-UHFFFAOYSA-N
XLogP-0.87
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxybutyl)-2-(methylamino)acetamide
CID 106841932
2-(methylamino)-N-[4-[[2-(methylamino)acetyl]amino]butyl]acetamide
CID 177413313
N-(5,5-dimethylhexyl)-2-(methylamino)acetamide;hydrochloride
CID 119775744
2-(methylamino)-N-[3-[2-[2-[3-[[2-(methylamino)acetyl]amino]propoxy]ethoxy]ethoxy]propyl]acetamide
CID 89399442
2-(methylamino)-N-(8-methylnonyl)acetamide
CID 170791103
N-(3-cyclopropylpropyl)-2-(methylamino)acetamide
CID 115740545
N-ethyl-2-(methylamino)acetamide;hydrochloride
CID 18526161
4-hydroxy-N-[4-(4-hydroxybutanoylamino)butyl]butanamide
CID 6611551
2-(methylamino)-N-[3-(2-methylpropoxy)propyl]acetamide;hydrochloride
CID 119693610
2-(methylamino)-N-[2-(methylcarbamoylamino)ethyl]acetamide
CID 146415919
2-(methylamino)-N-[5-[[2-(methylamino)acetyl]amino]-3-[2-[[2-(methylamino)acetyl]amino]ethyl]pentyl]acetamide
CID 58957783
2-(methylamino)-N-(3-piperidin-1-ylpropyl)acetamide
CID 43362949

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-(3-hydroxypropyl)-2-(methylamino)acetamide;hydrochloride (CID 56832092) is N-(3-hydroxypropyl)-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(3-hydroxypropyl)-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-(3-hydroxypropyl)-2-(methylamino)acetamide;hydrochloride is CNCC(=O)NCCCO.Cl.
What is the InChIKey of N-(3-hydroxypropyl)-2-(methylamino)acetamide;hydrochloride?
The InChIKey is QYDQJARQJYHLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.ClH/c1-7-5-6(10)8-3-2-4-9;/h7,9H,2-5H2,1H3,(H,8,10);1H.
What are the key properties of N-(3-hydroxypropyl)-2-(methylamino)acetamide;hydrochloride?
N-(3-hydroxypropyl)-2-(methylamino)acetamide;hydrochloride has a molecular weight of 182.65 g/mol, XLogP of -0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 56832092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).