N-(3-methyldecan-3-yl)acetamide

C13H27NO — CID 575138

IUPACN-(3-methyldecan-3-yl)acetamide
SMILESCCCCCCCC(C)(CC)NC(C)=O
InChIInChI=1S/C13H27NO/c1-5-7-8-9-10-11-13(4,6-2)14-12(3)15/h5-11H2,1-4H3,(H,14,15)
InChIKeyYGNKFUBSNMRGDP-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.65
Rot. Bonds8

About N-(3-methyldecan-3-yl)acetamide

N-(3-methyldecan-3-yl)acetamide (PubChem CID 575138) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(3-methyldecan-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-methyldecan-3-yl)acetamide
PubChem CID575138
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(3-methyldecan-3-yl)acetamide
SMILESCCCCCCCC(C)(CC)NC(C)=O
InChIInChI=1S/C13H27NO/c1-5-7-8-9-10-11-13(4,6-2)14-12(3)15/h5-11H2,1-4H3,(H,14,15)
InChIKeyYGNKFUBSNMRGDP-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyldecan-3-yl)acetamide?
The IUPAC name of N-(3-methyldecan-3-yl)acetamide (CID 575138) is N-(3-methyldecan-3-yl)acetamide.
What is the SMILES notation for N-(3-methyldecan-3-yl)acetamide?
The canonical SMILES for N-(3-methyldecan-3-yl)acetamide is CCCCCCCC(C)(CC)NC(C)=O.
What is the InChIKey of N-(3-methyldecan-3-yl)acetamide?
The InChIKey is YGNKFUBSNMRGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-7-8-9-10-11-13(4,6-2)14-12(3)15/h5-11H2,1-4H3,(H,14,15).
What are the key properties of N-(3-methyldecan-3-yl)acetamide?
N-(3-methyldecan-3-yl)acetamide has a molecular weight of 213.36 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyldecan-3-yl)acetamide is sourced from PubChem (CID 575138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).