ethane;N-(3-methoxypropyl)-2-(methylamino)acetamide

C9H22N2O2 — CID 91410041

IUPACethane;N-(3-methoxypropyl)-2-(methylamino)acetamide
SMILESCC.CNCC(=O)NCCCOC
InChIInChI=1S/C7H16N2O2.C2H6/c1-8-6-7(10)9-4-3-5-11-2;1-2/h8H,3-6H2,1-2H3,(H,9,10);1-2H3
InChIKeyPPZBGIKRQPOPEG-UHFFFAOYSA-N
MW190.29 g/mol
LogP0.38
Rot. Bonds6

About ethane;N-(3-methoxypropyl)-2-(methylamino)acetamide

ethane;N-(3-methoxypropyl)-2-(methylamino)acetamide (PubChem CID 91410041) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is ethane;N-(3-methoxypropyl)-2-(methylamino)acetamide.

Molecular Properties

Compound Nameethane;N-(3-methoxypropyl)-2-(methylamino)acetamide
PubChem CID91410041
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Nameethane;N-(3-methoxypropyl)-2-(methylamino)acetamide
SMILESCC.CNCC(=O)NCCCOC
InChIInChI=1S/C7H16N2O2.C2H6/c1-8-6-7(10)9-4-3-5-11-2;1-2/h8H,3-6H2,1-2H3,(H,9,10);1-2H3
InChIKeyPPZBGIKRQPOPEG-UHFFFAOYSA-N
XLogP0.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-methoxypropyl)-2-(methylamino)acetamide?
The IUPAC name of ethane;N-(3-methoxypropyl)-2-(methylamino)acetamide (CID 91410041) is ethane;N-(3-methoxypropyl)-2-(methylamino)acetamide.
What is the SMILES notation for ethane;N-(3-methoxypropyl)-2-(methylamino)acetamide?
The canonical SMILES for ethane;N-(3-methoxypropyl)-2-(methylamino)acetamide is CC.CNCC(=O)NCCCOC.
What is the InChIKey of ethane;N-(3-methoxypropyl)-2-(methylamino)acetamide?
The InChIKey is PPZBGIKRQPOPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2.C2H6/c1-8-6-7(10)9-4-3-5-11-2;1-2/h8H,3-6H2,1-2H3,(H,9,10);1-2H3.
What are the key properties of ethane;N-(3-methoxypropyl)-2-(methylamino)acetamide?
ethane;N-(3-methoxypropyl)-2-(methylamino)acetamide has a molecular weight of 190.29 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-methoxypropyl)-2-(methylamino)acetamide is sourced from PubChem (CID 91410041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).