N-methyl-N'-[2-(2-propoxyethoxy)ethyl]pentanediamide

C13H26N2O4 — CID 176584959

IUPACN-methyl-N'-[2-(2-propoxyethoxy)ethyl]pentanediamide
SMILESCCCOCCOCCNC(=O)CCCC(=O)NC
InChIInChI=1S/C13H26N2O4/c1-3-8-18-10-11-19-9-7-15-13(17)6-4-5-12(16)14-2/h3-11H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyNXEHPOSOXHVPOG-UHFFFAOYSA-N
MW274.36 g/mol
LogP0.46
Rot. Bonds12

About N-methyl-N'-[2-(2-propoxyethoxy)ethyl]pentanediamide

N-methyl-N'-[2-(2-propoxyethoxy)ethyl]pentanediamide (PubChem CID 176584959) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-methyl-N'-[2-(2-propoxyethoxy)ethyl]pentanediamide.

Molecular Properties

Compound NameN-methyl-N'-[2-(2-propoxyethoxy)ethyl]pentanediamide
PubChem CID176584959
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC NameN-methyl-N'-[2-(2-propoxyethoxy)ethyl]pentanediamide
SMILESCCCOCCOCCNC(=O)CCCC(=O)NC
InChIInChI=1S/C13H26N2O4/c1-3-8-18-10-11-19-9-7-15-13(17)6-4-5-12(16)14-2/h3-11H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyNXEHPOSOXHVPOG-UHFFFAOYSA-N
XLogP0.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938
4-amino-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 145188206
ethane;molecular hydrogen;N-[2-(2-propoxyethoxy)ethyl]pentanamide
CID 170639867
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]pentanamide
CID 175944386
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pentanamide
CID 54534992
N-methyl-2-[2-[2-[[2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide
CID 89101434
16-oxo-16-(2-propoxyethylamino)hexadecanoic acid
CID 122592174
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide
CID 134259653
N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 167513156
N-methyl-3-[2-[2-(propanoylamino)ethoxy]ethoxy]propanamide
CID 163393368
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-propoxyethoxy)propanamide;molecular hydrogen
CID 176987409
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[2-(2-propoxyethoxy)ethyl]pentanediamide?
The IUPAC name of N-methyl-N'-[2-(2-propoxyethoxy)ethyl]pentanediamide (CID 176584959) is N-methyl-N'-[2-(2-propoxyethoxy)ethyl]pentanediamide.
What is the SMILES notation for N-methyl-N'-[2-(2-propoxyethoxy)ethyl]pentanediamide?
The canonical SMILES for N-methyl-N'-[2-(2-propoxyethoxy)ethyl]pentanediamide is CCCOCCOCCNC(=O)CCCC(=O)NC.
What is the InChIKey of N-methyl-N'-[2-(2-propoxyethoxy)ethyl]pentanediamide?
The InChIKey is NXEHPOSOXHVPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-3-8-18-10-11-19-9-7-15-13(17)6-4-5-12(16)14-2/h3-11H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-methyl-N'-[2-(2-propoxyethoxy)ethyl]pentanediamide?
N-methyl-N'-[2-(2-propoxyethoxy)ethyl]pentanediamide has a molecular weight of 274.36 g/mol, XLogP of 0.46, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[2-(2-propoxyethoxy)ethyl]pentanediamide is sourced from PubChem (CID 176584959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).