4-amino-N-(2-but-3-enoxyethyl)-4-methylpentanamide

C12H24N2O2 — CID 106398026

IUPAC4-amino-N-(2-but-3-enoxyethyl)-4-methylpentanamide
SMILESC=CCCOCCNC(=O)CCC(C)(C)N
InChIInChI=1S/C12H24N2O2/c1-4-5-9-16-10-8-14-11(15)6-7-12(2,3)13/h4H,1,5-10,13H2,2-3H3,(H,14,15)
InChIKeyXTFNJAUQKDXYGX-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.21
Rot. Bonds9

About 4-amino-N-(2-but-3-enoxyethyl)-4-methylpentanamide

4-amino-N-(2-but-3-enoxyethyl)-4-methylpentanamide (PubChem CID 106398026) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-amino-N-(2-but-3-enoxyethyl)-4-methylpentanamide.

Molecular Properties

Compound Name4-amino-N-(2-but-3-enoxyethyl)-4-methylpentanamide
PubChem CID106398026
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-amino-N-(2-but-3-enoxyethyl)-4-methylpentanamide
SMILESC=CCCOCCNC(=O)CCC(C)(C)N
InChIInChI=1S/C12H24N2O2/c1-4-5-9-16-10-8-14-11(15)6-7-12(2,3)13/h4H,1,5-10,13H2,2-3H3,(H,14,15)
InChIKeyXTFNJAUQKDXYGX-UHFFFAOYSA-N
XLogP1.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.21
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-amino-N-(2-but-3-enoxyethyl)-3,3,3-trifluoro-2-methylpropanamide
CID 106398035
7-amino-N-(2-but-3-enoxyethyl)heptanamide
CID 114183717
6-(2-but-3-enoxyethylamino)-6-oxohexanoic acid
CID 106394786
N-(2-but-3-enoxyethyl)-2,2-dimethylpropanamide
CID 103855692
2-but-3-enoxyethylurea
CID 103852774
2-(2-but-3-enoxyethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 106405118
(2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide
CID 106398122
1-(2-but-3-enoxyethyl)-3-methylurea
CID 103852773
1-amino-N-(2-but-3-enoxyethyl)cyclopropane-1-carboxamide
CID 103950980
N-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide
CID 139430629
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 131982939
N-(2-but-3-enoxyethyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 114183708

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-but-3-enoxyethyl)-4-methylpentanamide?
The IUPAC name of 4-amino-N-(2-but-3-enoxyethyl)-4-methylpentanamide (CID 106398026) is 4-amino-N-(2-but-3-enoxyethyl)-4-methylpentanamide.
What is the SMILES notation for 4-amino-N-(2-but-3-enoxyethyl)-4-methylpentanamide?
The canonical SMILES for 4-amino-N-(2-but-3-enoxyethyl)-4-methylpentanamide is C=CCCOCCNC(=O)CCC(C)(C)N.
What is the InChIKey of 4-amino-N-(2-but-3-enoxyethyl)-4-methylpentanamide?
The InChIKey is XTFNJAUQKDXYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-5-9-16-10-8-14-11(15)6-7-12(2,3)13/h4H,1,5-10,13H2,2-3H3,(H,14,15).
What are the key properties of 4-amino-N-(2-but-3-enoxyethyl)-4-methylpentanamide?
4-amino-N-(2-but-3-enoxyethyl)-4-methylpentanamide has a molecular weight of 228.34 g/mol, XLogP of 1.21, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-but-3-enoxyethyl)-4-methylpentanamide is sourced from PubChem (CID 106398026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).