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

C13H24N2O3 — CID 22946835

IUPAC2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide
SMILESC=C(C(C)C)C(CO)CNC(=O)CN(C)C(C)=O
InChIInChI=1S/C13H24N2O3/c1-9(2)10(3)12(8-16)6-14-13(18)7-15(5)11(4)17/h9,12,16H,3,6-8H2,1-2,4-5H3,(H,14,18)
InChIKeyMFKUGNOJFIJNGI-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.40
Rot. Bonds7

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

2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide (PubChem CID 22946835) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide
PubChem CID22946835
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide
SMILESC=C(C(C)C)C(CO)CNC(=O)CN(C)C(C)=O
InChIInChI=1S/C13H24N2O3/c1-9(2)10(3)12(8-16)6-14-13(18)7-15(5)11(4)17/h9,12,16H,3,6-8H2,1-2,4-5H3,(H,14,18)
InChIKeyMFKUGNOJFIJNGI-UHFFFAOYSA-N
XLogP0.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
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-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide (CID 22946835) is 2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide is C=C(C(C)C)C(CO)CNC(=O)CN(C)C(C)=O.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide?
The InChIKey is MFKUGNOJFIJNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)10(3)12(8-16)6-14-13(18)7-15(5)11(4)17/h9,12,16H,3,6-8H2,1-2,4-5H3,(H,14,18).
What are the key properties of 2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide?
2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide has a molecular weight of 256.35 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-N-[2-(hydroxymethyl)-4-methyl-3-methylidenepentyl]acetamide is sourced from PubChem (CID 22946835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).