2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide;formaldehyde

C14H26N2O4 — CID 91310133

IUPAC2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide;formaldehyde
SMILESC=C(C(C)C)C(CO)CNC(=O)CN(C)C(C)=O.C=O
InChIInChI=1S/C13H24N2O3.CH2O/c1-9(2)10(3)12(8-16)6-14-13(18)7-15(5)11(4)17;1-2/h9,12,16H,3,6-8H2,1-2,4-5H3,(H,14,18);1H2
InChIKeySTQJDXBQQVIAOY-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.22
Rot. Bonds7

About 2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide;formaldehyde

2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide;formaldehyde (PubChem CID 91310133) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide;formaldehyde.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide;formaldehyde
PubChem CID91310133
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide;formaldehyde
SMILESC=C(C(C)C)C(CO)CNC(=O)CN(C)C(C)=O.C=O
InChIInChI=1S/C13H24N2O3.CH2O/c1-9(2)10(3)12(8-16)6-14-13(18)7-15(5)11(4)17;1-2/h9,12,16H,3,6-8H2,1-2,4-5H3,(H,14,18);1H2
InChIKeySTQJDXBQQVIAOY-UHFFFAOYSA-N
XLogP0.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide
CID 22946835
2-[acetyl(methyl)amino]-N-[2-(hydroxymethoxymethyl)-4-methyl-3-methylidenepentyl]acetamide
CID 59872711
2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide;formaldehyde;methane
CID 159938913
2-[acetyl(methyl)amino]-N-[2-(hydroxymethoxymethyl)-4-methyl-3-methylidenepentyl]acetamide;methane
CID 160466822

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide;formaldehyde?
The IUPAC name of 2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide;formaldehyde (CID 91310133) is 2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide;formaldehyde.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide;formaldehyde?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide;formaldehyde is C=C(C(C)C)C(CO)CNC(=O)CN(C)C(C)=O.C=O.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide;formaldehyde?
The InChIKey is STQJDXBQQVIAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3.CH2O/c1-9(2)10(3)12(8-16)6-14-13(18)7-15(5)11(4)17;1-2/h9,12,16H,3,6-8H2,1-2,4-5H3,(H,14,18);1H2.
What are the key properties of 2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide;formaldehyde?
2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide;formaldehyde has a molecular weight of 286.37 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide;formaldehyde is sourced from PubChem (CID 91310133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).