ethane;N-[4-(ethylamino)butyl]-4-propoxybutanamide;molecular hydrogen

C15H38N2O2 — CID 156819710

IUPACethane;N-[4-(ethylamino)butyl]-4-propoxybutanamide;molecular hydrogen
SMILESCC.CCCOCCCC(=O)NCCCCNCC.[H][H].[H][H]
InChIInChI=1S/C13H28N2O2.C2H6.2H2/c1-3-11-17-12-7-8-13(16)15-10-6-5-9-14-4-2;1-2;;/h14H,3-12H2,1-2H3,(H,15,16);1-2H3;2*1H
InChIKeyNUMFCGTVTRELFS-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.22
Rot. Bonds12

About ethane;N-[4-(ethylamino)butyl]-4-propoxybutanamide;molecular hydrogen

ethane;N-[4-(ethylamino)butyl]-4-propoxybutanamide;molecular hydrogen (PubChem CID 156819710) has the molecular formula C15H38N2O2 and a molecular weight of 278.48 g/mol. Its IUPAC name is ethane;N-[4-(ethylamino)butyl]-4-propoxybutanamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-[4-(ethylamino)butyl]-4-propoxybutanamide;molecular hydrogen
PubChem CID156819710
Molecular FormulaC15H38N2O2
Molecular Weight278.48 g/mol
Exact Mass278.29
IUPAC Nameethane;N-[4-(ethylamino)butyl]-4-propoxybutanamide;molecular hydrogen
SMILESCC.CCCOCCCC(=O)NCCCCNCC.[H][H].[H][H]
InChIInChI=1S/C13H28N2O2.C2H6.2H2/c1-3-11-17-12-7-8-13(16)15-10-6-5-9-14-4-2;1-2;;/h14H,3-12H2,1-2H3,(H,15,16);1-2H3;2*1H
InChIKeyNUMFCGTVTRELFS-UHFFFAOYSA-N
XLogP3.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.22
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-[4-(ethylamino)butyl]-4-propoxybutanamide;molecular hydrogen?
The IUPAC name of ethane;N-[4-(ethylamino)butyl]-4-propoxybutanamide;molecular hydrogen (CID 156819710) is ethane;N-[4-(ethylamino)butyl]-4-propoxybutanamide;molecular hydrogen.
What is the SMILES notation for ethane;N-[4-(ethylamino)butyl]-4-propoxybutanamide;molecular hydrogen?
The canonical SMILES for ethane;N-[4-(ethylamino)butyl]-4-propoxybutanamide;molecular hydrogen is CC.CCCOCCCC(=O)NCCCCNCC.[H][H].[H][H].
What is the InChIKey of ethane;N-[4-(ethylamino)butyl]-4-propoxybutanamide;molecular hydrogen?
The InChIKey is NUMFCGTVTRELFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2.C2H6.2H2/c1-3-11-17-12-7-8-13(16)15-10-6-5-9-14-4-2;1-2;;/h14H,3-12H2,1-2H3,(H,15,16);1-2H3;2*1H.
What are the key properties of ethane;N-[4-(ethylamino)butyl]-4-propoxybutanamide;molecular hydrogen?
ethane;N-[4-(ethylamino)butyl]-4-propoxybutanamide;molecular hydrogen has a molecular weight of 278.48 g/mol, XLogP of 3.22, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[4-(ethylamino)butyl]-4-propoxybutanamide;molecular hydrogen is sourced from PubChem (CID 156819710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).