2-[acetyl(methyl)amino]-N-[2-(hydroxymethoxymethyl)-4-methyl-3-methylidenepentyl]acetamide

C14H26N2O4 — CID 59872711

IUPAC2-[acetyl(methyl)amino]-N-[2-(hydroxymethoxymethyl)-4-methyl-3-methylidenepentyl]acetamide
SMILESC=C(C(C)C)C(CNC(=O)CN(C)C(C)=O)COCO
InChIInChI=1S/C14H26N2O4/c1-10(2)11(3)13(8-20-9-17)6-15-14(19)7-16(5)12(4)18/h10,13,17H,3,6-9H2,1-2,4-5H3,(H,15,19)
InChIKeyRCSDALFTWNYAIF-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.38
Rot. Bonds9

About 2-[acetyl(methyl)amino]-N-[2-(hydroxymethoxymethyl)-4-methyl-3-methylidenepentyl]acetamide

2-[acetyl(methyl)amino]-N-[2-(hydroxymethoxymethyl)-4-methyl-3-methylidenepentyl]acetamide (PubChem CID 59872711) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-[2-(hydroxymethoxymethyl)-4-methyl-3-methylidenepentyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-[2-(hydroxymethoxymethyl)-4-methyl-3-methylidenepentyl]acetamide
PubChem CID59872711
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[acetyl(methyl)amino]-N-[2-(hydroxymethoxymethyl)-4-methyl-3-methylidenepentyl]acetamide
SMILESC=C(C(C)C)C(CNC(=O)CN(C)C(C)=O)COCO
InChIInChI=1S/C14H26N2O4/c1-10(2)11(3)13(8-20-9-17)6-15-14(19)7-16(5)12(4)18/h10,13,17H,3,6-9H2,1-2,4-5H3,(H,15,19)
InChIKeyRCSDALFTWNYAIF-UHFFFAOYSA-N
XLogP0.38
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide;formaldehyde
CID 91310133
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-(hydroxymethoxymethyl)-4-methyl-3-methylidenepentyl]acetamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-[2-(hydroxymethoxymethyl)-4-methyl-3-methylidenepentyl]acetamide (CID 59872711) is 2-[acetyl(methyl)amino]-N-[2-(hydroxymethoxymethyl)-4-methyl-3-methylidenepentyl]acetamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-[2-(hydroxymethoxymethyl)-4-methyl-3-methylidenepentyl]acetamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-[2-(hydroxymethoxymethyl)-4-methyl-3-methylidenepentyl]acetamide is C=C(C(C)C)C(CNC(=O)CN(C)C(C)=O)COCO.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-[2-(hydroxymethoxymethyl)-4-methyl-3-methylidenepentyl]acetamide?
The InChIKey is RCSDALFTWNYAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10(2)11(3)13(8-20-9-17)6-15-14(19)7-16(5)12(4)18/h10,13,17H,3,6-9H2,1-2,4-5H3,(H,15,19).
What are the key properties of 2-[acetyl(methyl)amino]-N-[2-(hydroxymethoxymethyl)-4-methyl-3-methylidenepentyl]acetamide?
2-[acetyl(methyl)amino]-N-[2-(hydroxymethoxymethyl)-4-methyl-3-methylidenepentyl]acetamide has a molecular weight of 286.37 g/mol, XLogP of 0.38, 9 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-(hydroxymethoxymethyl)-4-methyl-3-methylidenepentyl]acetamide is sourced from PubChem (CID 59872711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).