2-(2-but-3-enoxyethylamino)-N-(2-methylbutan-2-yl)acetamide

C13H26N2O2 — CID 106401580

IUPAC2-(2-but-3-enoxyethylamino)-N-(2-methylbutan-2-yl)acetamide
SMILESC=CCCOCCNCC(=O)NC(C)(C)CC
InChIInChI=1S/C13H26N2O2/c1-5-7-9-17-10-8-14-11-12(16)15-13(3,4)6-2/h5,14H,1,6-11H2,2-4H3,(H,15,16)
InChIKeyOCUKGVZSMAMZKX-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.47
Rot. Bonds10

About 2-(2-but-3-enoxyethylamino)-N-(2-methylbutan-2-yl)acetamide

2-(2-but-3-enoxyethylamino)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 106401580) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(2-but-3-enoxyethylamino)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-but-3-enoxyethylamino)-N-(2-methylbutan-2-yl)acetamide
PubChem CID106401580
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(2-but-3-enoxyethylamino)-N-(2-methylbutan-2-yl)acetamide
SMILESC=CCCOCCNCC(=O)NC(C)(C)CC
InChIInChI=1S/C13H26N2O2/c1-5-7-9-17-10-8-14-11-12(16)15-13(3,4)6-2/h5,14H,1,6-11H2,2-4H3,(H,15,16)
InChIKeyOCUKGVZSMAMZKX-UHFFFAOYSA-N
XLogP1.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-but-3-enoxyethylamino)methyl]-2-methylbutan-1-ol
CID 106397096
2-(3-ethoxypropylamino)-N-(2-methylbutan-2-yl)acetamide
CID 60672261
2-(2-hydroxyethylamino)-N-(2-methylbutan-2-yl)acetamide
CID 60671300
2-(2-but-3-enoxyethylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 106401726
2-(5-methoxypentylamino)-N-(2-methylbutan-2-yl)acetamide
CID 114130456
2-(2-but-3-enoxyethylcarbamoylamino)-2-ethylbutanoic acid
CID 106404920
N-(2-methylbutan-2-yl)-2-[2-(propylamino)ethoxy]acetamide
CID 62335943
2-(2-but-3-enoxyethylcarbamoylamino)-2-methylbutanoic acid
CID 106405065
(E)-N-(2-but-3-enoxyethyl)-2,3-dichloroprop-2-en-1-amine
CID 106401566
N-(2-but-3-enoxyethyl)-2,2-dimethylpropanamide
CID 103855692
2-(2-methoxyethylamino)-N-(2-methylpentan-2-yl)acetamide
CID 115738896
N-(2-but-3-enoxyethyl)-2-butoxyethanamine
CID 62598699

Frequently Asked Questions

What is the IUPAC name of 2-(2-but-3-enoxyethylamino)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-but-3-enoxyethylamino)-N-(2-methylbutan-2-yl)acetamide (CID 106401580) is 2-(2-but-3-enoxyethylamino)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-but-3-enoxyethylamino)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-but-3-enoxyethylamino)-N-(2-methylbutan-2-yl)acetamide is C=CCCOCCNCC(=O)NC(C)(C)CC.
What is the InChIKey of 2-(2-but-3-enoxyethylamino)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is OCUKGVZSMAMZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-7-9-17-10-8-14-11-12(16)15-13(3,4)6-2/h5,14H,1,6-11H2,2-4H3,(H,15,16).
What are the key properties of 2-(2-but-3-enoxyethylamino)-N-(2-methylbutan-2-yl)acetamide?
2-(2-but-3-enoxyethylamino)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 242.36 g/mol, XLogP of 1.47, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-but-3-enoxyethylamino)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 106401580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).