N-(2-amino-4-pentan-3-yloxyhex-5-en-3-yl)acetamide

C13H26N2O2 — CID 123666021

IUPACN-(2-amino-4-pentan-3-yloxyhex-5-en-3-yl)acetamide
SMILESC=CC(OC(CC)CC)C(NC(C)=O)C(C)N
InChIInChI=1S/C13H26N2O2/c1-6-11(7-2)17-12(8-3)13(9(4)14)15-10(5)16/h8-9,11-13H,3,6-7,14H2,1-2,4-5H3,(H,15,16)
InChIKeyZHFJNFALLBZTFA-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.60
Rot. Bonds8

About N-(2-amino-4-pentan-3-yloxyhex-5-en-3-yl)acetamide

N-(2-amino-4-pentan-3-yloxyhex-5-en-3-yl)acetamide (PubChem CID 123666021) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(2-amino-4-pentan-3-yloxyhex-5-en-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-pentan-3-yloxyhex-5-en-3-yl)acetamide
PubChem CID123666021
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(2-amino-4-pentan-3-yloxyhex-5-en-3-yl)acetamide
SMILESC=CC(OC(CC)CC)C(NC(C)=O)C(C)N
InChIInChI=1S/C13H26N2O2/c1-6-11(7-2)17-12(8-3)13(9(4)14)15-10(5)16/h8-9,11-13H,3,6-7,14H2,1-2,4-5H3,(H,15,16)
InChIKeyZHFJNFALLBZTFA-UHFFFAOYSA-N
XLogP1.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-pentan-3-yloxyhex-5-en-3-yl)acetamide?
The IUPAC name of N-(2-amino-4-pentan-3-yloxyhex-5-en-3-yl)acetamide (CID 123666021) is N-(2-amino-4-pentan-3-yloxyhex-5-en-3-yl)acetamide.
What is the SMILES notation for N-(2-amino-4-pentan-3-yloxyhex-5-en-3-yl)acetamide?
The canonical SMILES for N-(2-amino-4-pentan-3-yloxyhex-5-en-3-yl)acetamide is C=CC(OC(CC)CC)C(NC(C)=O)C(C)N.
What is the InChIKey of N-(2-amino-4-pentan-3-yloxyhex-5-en-3-yl)acetamide?
The InChIKey is ZHFJNFALLBZTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-6-11(7-2)17-12(8-3)13(9(4)14)15-10(5)16/h8-9,11-13H,3,6-7,14H2,1-2,4-5H3,(H,15,16).
What are the key properties of N-(2-amino-4-pentan-3-yloxyhex-5-en-3-yl)acetamide?
N-(2-amino-4-pentan-3-yloxyhex-5-en-3-yl)acetamide has a molecular weight of 242.36 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-pentan-3-yloxyhex-5-en-3-yl)acetamide is sourced from PubChem (CID 123666021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).