2-amino-N-methyl-2-(oxan-4-yl)-N-pent-4-enylacetamide

C13H24N2O2 — CID 120794202

IUPAC2-amino-N-methyl-2-(oxan-4-yl)-N-pent-4-enylacetamide
SMILESC=CCCCN(C)C(=O)C(N)C1CCOCC1
InChIInChI=1S/C13H24N2O2/c1-3-4-5-8-15(2)13(16)12(14)11-6-9-17-10-7-11/h3,11-12H,1,4-10,14H2,2H3
InChIKeyWXQCHXBRSNGIEF-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.16
Rot. Bonds6

About 2-amino-N-methyl-2-(oxan-4-yl)-N-pent-4-enylacetamide

2-amino-N-methyl-2-(oxan-4-yl)-N-pent-4-enylacetamide (PubChem CID 120794202) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-amino-N-methyl-2-(oxan-4-yl)-N-pent-4-enylacetamide.

Molecular Properties

Compound Name2-amino-N-methyl-2-(oxan-4-yl)-N-pent-4-enylacetamide
PubChem CID120794202
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-amino-N-methyl-2-(oxan-4-yl)-N-pent-4-enylacetamide
SMILESC=CCCCN(C)C(=O)C(N)C1CCOCC1
InChIInChI=1S/C13H24N2O2/c1-3-4-5-8-15(2)13(16)12(14)11-6-9-17-10-7-11/h3,11-12H,1,4-10,14H2,2H3
InChIKeyWXQCHXBRSNGIEF-UHFFFAOYSA-N
XLogP1.16
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
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-hept-6-enyl-N-methyl-2-(oxan-4-yl)acetamide
CID 120793870
2-amino-N-methyl-N-pent-4-enylbutanamide
CID 115734607
(2S)-2-amino-N,3-dimethyl-N-pent-4-enylbutanamide
CID 15511724
2-amino-N-methyl-2-(oxan-4-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 120801738
2-amino-N-methyl-2-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 120795230
(2R)-2-amino-N-methyl-N-pent-4-enylpentanamide
CID 103797423
2-amino-N-methyl-2-(oxan-4-yl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
CID 120788646
2-amino-N-methyl-2-(oxan-4-yl)-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]acetamide;hydrochloride
CID 120791531
2-amino-N-(2-ethoxyethyl)-N-ethyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120790311
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide
CID 120784326
2-amino-N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783873
2-amino-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid
CID 115179520

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-2-(oxan-4-yl)-N-pent-4-enylacetamide?
The IUPAC name of 2-amino-N-methyl-2-(oxan-4-yl)-N-pent-4-enylacetamide (CID 120794202) is 2-amino-N-methyl-2-(oxan-4-yl)-N-pent-4-enylacetamide.
What is the SMILES notation for 2-amino-N-methyl-2-(oxan-4-yl)-N-pent-4-enylacetamide?
The canonical SMILES for 2-amino-N-methyl-2-(oxan-4-yl)-N-pent-4-enylacetamide is C=CCCCN(C)C(=O)C(N)C1CCOCC1.
What is the InChIKey of 2-amino-N-methyl-2-(oxan-4-yl)-N-pent-4-enylacetamide?
The InChIKey is WXQCHXBRSNGIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-4-5-8-15(2)13(16)12(14)11-6-9-17-10-7-11/h3,11-12H,1,4-10,14H2,2H3.
What are the key properties of 2-amino-N-methyl-2-(oxan-4-yl)-N-pent-4-enylacetamide?
2-amino-N-methyl-2-(oxan-4-yl)-N-pent-4-enylacetamide has a molecular weight of 240.35 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-2-(oxan-4-yl)-N-pent-4-enylacetamide is sourced from PubChem (CID 120794202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).