2-methyl-N-[2-[2-(3-methylbut-1-en-2-ylamino)ethoxy]ethyl]propanamide

C13H26N2O2 — CID 118136018

IUPAC2-methyl-N-[2-[2-(3-methylbut-1-en-2-ylamino)ethoxy]ethyl]propanamide
SMILESC=C(NCCOCCNC(=O)C(C)C)C(C)C
InChIInChI=1S/C13H26N2O2/c1-10(2)12(5)14-6-8-17-9-7-15-13(16)11(3)4/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyHVGUKZSRQLRDHP-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.53
Rot. Bonds9

About 2-methyl-N-[2-[2-(3-methylbut-1-en-2-ylamino)ethoxy]ethyl]propanamide

2-methyl-N-[2-[2-(3-methylbut-1-en-2-ylamino)ethoxy]ethyl]propanamide (PubChem CID 118136018) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-(3-methylbut-1-en-2-ylamino)ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(3-methylbut-1-en-2-ylamino)ethoxy]ethyl]propanamide
PubChem CID118136018
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-methyl-N-[2-[2-(3-methylbut-1-en-2-ylamino)ethoxy]ethyl]propanamide
SMILESC=C(NCCOCCNC(=O)C(C)C)C(C)C
InChIInChI=1S/C13H26N2O2/c1-10(2)12(5)14-6-8-17-9-7-15-13(16)11(3)4/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyHVGUKZSRQLRDHP-UHFFFAOYSA-N
XLogP1.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.53
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 2-methyl-N-[2-[2-(3-methylbut-1-en-2-ylamino)ethoxy]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[2-(3-methylbut-1-en-2-ylamino)ethoxy]ethyl]propanamide (CID 118136018) is 2-methyl-N-[2-[2-(3-methylbut-1-en-2-ylamino)ethoxy]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[2-(3-methylbut-1-en-2-ylamino)ethoxy]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[2-(3-methylbut-1-en-2-ylamino)ethoxy]ethyl]propanamide is C=C(NCCOCCNC(=O)C(C)C)C(C)C.
What is the InChIKey of 2-methyl-N-[2-[2-(3-methylbut-1-en-2-ylamino)ethoxy]ethyl]propanamide?
The InChIKey is HVGUKZSRQLRDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)12(5)14-6-8-17-9-7-15-13(16)11(3)4/h10-11,14H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 2-methyl-N-[2-[2-(3-methylbut-1-en-2-ylamino)ethoxy]ethyl]propanamide?
2-methyl-N-[2-[2-(3-methylbut-1-en-2-ylamino)ethoxy]ethyl]propanamide has a molecular weight of 242.36 g/mol, XLogP of 1.53, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-(3-methylbut-1-en-2-ylamino)ethoxy]ethyl]propanamide is sourced from PubChem (CID 118136018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).