N-[2-[2-[2-(but-1-en-2-ylamino)ethoxy]ethoxy]ethyl]propanamide

C13H26N2O3 — CID 139386416

IUPACN-[2-[2-[2-(but-1-en-2-ylamino)ethoxy]ethoxy]ethyl]propanamide
SMILESC=C(CC)NCCOCCOCCNC(=O)CC
InChIInChI=1S/C13H26N2O3/c1-4-12(3)14-6-8-17-10-11-18-9-7-15-13(16)5-2/h14H,3-11H2,1-2H3,(H,15,16)
InChIKeySOVREIHEZCCYME-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.06
Rot. Bonds12

About N-[2-[2-[2-(but-1-en-2-ylamino)ethoxy]ethoxy]ethyl]propanamide

N-[2-[2-[2-(but-1-en-2-ylamino)ethoxy]ethoxy]ethyl]propanamide (PubChem CID 139386416) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[2-[2-[2-(but-1-en-2-ylamino)ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[2-[2-(but-1-en-2-ylamino)ethoxy]ethoxy]ethyl]propanamide
PubChem CID139386416
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-[2-[2-[2-(but-1-en-2-ylamino)ethoxy]ethoxy]ethyl]propanamide
SMILESC=C(CC)NCCOCCOCCNC(=O)CC
InChIInChI=1S/C13H26N2O3/c1-4-12(3)14-6-8-17-10-11-18-9-7-15-13(16)5-2/h14H,3-11H2,1-2H3,(H,15,16)
InChIKeySOVREIHEZCCYME-UHFFFAOYSA-N
XLogP1.06
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.06
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(but-1-en-2-ylamino)ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of N-[2-[2-[2-(but-1-en-2-ylamino)ethoxy]ethoxy]ethyl]propanamide (CID 139386416) is N-[2-[2-[2-(but-1-en-2-ylamino)ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for N-[2-[2-[2-(but-1-en-2-ylamino)ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for N-[2-[2-[2-(but-1-en-2-ylamino)ethoxy]ethoxy]ethyl]propanamide is C=C(CC)NCCOCCOCCNC(=O)CC.
What is the InChIKey of N-[2-[2-[2-(but-1-en-2-ylamino)ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is SOVREIHEZCCYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-12(3)14-6-8-17-10-11-18-9-7-15-13(16)5-2/h14H,3-11H2,1-2H3,(H,15,16).
What are the key properties of N-[2-[2-[2-(but-1-en-2-ylamino)ethoxy]ethoxy]ethyl]propanamide?
N-[2-[2-[2-(but-1-en-2-ylamino)ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 258.36 g/mol, XLogP of 1.06, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(but-1-en-2-ylamino)ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 139386416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).