ethane;2-methyl-N-[3-[3-(methylamino)propoxy]propyl]propanamide

C13H30N2O2 — CID 156795155

IUPACethane;2-methyl-N-[3-[3-(methylamino)propoxy]propyl]propanamide
SMILESCC.CNCCCOCCCNC(=O)C(C)C
InChIInChI=1S/C11H24N2O2.C2H6/c1-10(2)11(14)13-7-5-9-15-8-4-6-12-3;1-2/h10,12H,4-9H2,1-3H3,(H,13,14);1-2H3
InChIKeyUWKHDKZWQFXVIF-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.80
Rot. Bonds9

About ethane;2-methyl-N-[3-[3-(methylamino)propoxy]propyl]propanamide

ethane;2-methyl-N-[3-[3-(methylamino)propoxy]propyl]propanamide (PubChem CID 156795155) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is ethane;2-methyl-N-[3-[3-(methylamino)propoxy]propyl]propanamide.

Molecular Properties

Compound Nameethane;2-methyl-N-[3-[3-(methylamino)propoxy]propyl]propanamide
PubChem CID156795155
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Nameethane;2-methyl-N-[3-[3-(methylamino)propoxy]propyl]propanamide
SMILESCC.CNCCCOCCCNC(=O)C(C)C
InChIInChI=1S/C11H24N2O2.C2H6/c1-10(2)11(14)13-7-5-9-15-8-4-6-12-3;1-2/h10,12H,4-9H2,1-3H3,(H,13,14);1-2H3
InChIKeyUWKHDKZWQFXVIF-UHFFFAOYSA-N
XLogP1.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.80
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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Related Compounds

2-methyl-N-[5-[5-(methylamino)pentoxy]pentyl]propanamide
CID 156794993
methane;2-methyl-N-[1-[3-[2-[3-(methylamino)propoxy]ethoxy]propylamino]-1-oxopropan-2-yl]propanamide
CID 158950751
2-methyl-N-[4-(methylamino)butyl]propanamide
CID 134337431
N-[3-[3-(ethylamino)propoxy]propyl]-2-methylpropanamide
CID 167107449
2-methyl-N-[3-(2-methylpropoxy)propyl]propanamide
CID 60714986
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propanamide
CID 138727288
1-ethyl-3-[3-[3-(methylamino)propoxy]propyl]urea
CID 22381303
ethane;2-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 145320250
(2S)-N-(3-butoxypropyl)-2-chloropropanamide
CID 92660561
N-[3-[3-[3-[[2-(1-iodoethoxy)acetyl]amino]propoxy]propoxy]propyl]-2-methylpropanamide
CID 170007577
ethane;2-methoxy-N-[3-[4-(methylamino)butoxy]propyl]acetamide
CID 176551860
ethane;N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 153390518

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-[3-[3-(methylamino)propoxy]propyl]propanamide?
The IUPAC name of ethane;2-methyl-N-[3-[3-(methylamino)propoxy]propyl]propanamide (CID 156795155) is ethane;2-methyl-N-[3-[3-(methylamino)propoxy]propyl]propanamide.
What is the SMILES notation for ethane;2-methyl-N-[3-[3-(methylamino)propoxy]propyl]propanamide?
The canonical SMILES for ethane;2-methyl-N-[3-[3-(methylamino)propoxy]propyl]propanamide is CC.CNCCCOCCCNC(=O)C(C)C.
What is the InChIKey of ethane;2-methyl-N-[3-[3-(methylamino)propoxy]propyl]propanamide?
The InChIKey is UWKHDKZWQFXVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2.C2H6/c1-10(2)11(14)13-7-5-9-15-8-4-6-12-3;1-2/h10,12H,4-9H2,1-3H3,(H,13,14);1-2H3.
What are the key properties of ethane;2-methyl-N-[3-[3-(methylamino)propoxy]propyl]propanamide?
ethane;2-methyl-N-[3-[3-(methylamino)propoxy]propyl]propanamide has a molecular weight of 246.39 g/mol, XLogP of 1.80, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-[3-[3-(methylamino)propoxy]propyl]propanamide is sourced from PubChem (CID 156795155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).