N-acetyl-N-(3-methylhexan-3-yl)acetamide

C11H21NO2 — CID 89349857

IUPACN-acetyl-N-(3-methylhexan-3-yl)acetamide
SMILESCCCC(C)(CC)N(C(C)=O)C(C)=O
InChIInChI=1S/C11H21NO2/c1-6-8-11(5,7-2)12(9(3)13)10(4)14/h6-8H2,1-5H3
InChIKeyTWLRVKLYERADRQ-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.35
Rot. Bonds4

About N-acetyl-N-(3-methylhexan-3-yl)acetamide

N-acetyl-N-(3-methylhexan-3-yl)acetamide (PubChem CID 89349857) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-acetyl-N-(3-methylhexan-3-yl)acetamide.

Molecular Properties

Compound NameN-acetyl-N-(3-methylhexan-3-yl)acetamide
PubChem CID89349857
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-acetyl-N-(3-methylhexan-3-yl)acetamide
SMILESCCCC(C)(CC)N(C(C)=O)C(C)=O
InChIInChI=1S/C11H21NO2/c1-6-8-11(5,7-2)12(9(3)13)10(4)14/h6-8H2,1-5H3
InChIKeyTWLRVKLYERADRQ-UHFFFAOYSA-N
XLogP2.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(3-methylhexan-3-yl)acetamide?
The IUPAC name of N-acetyl-N-(3-methylhexan-3-yl)acetamide (CID 89349857) is N-acetyl-N-(3-methylhexan-3-yl)acetamide.
What is the SMILES notation for N-acetyl-N-(3-methylhexan-3-yl)acetamide?
The canonical SMILES for N-acetyl-N-(3-methylhexan-3-yl)acetamide is CCCC(C)(CC)N(C(C)=O)C(C)=O.
What is the InChIKey of N-acetyl-N-(3-methylhexan-3-yl)acetamide?
The InChIKey is TWLRVKLYERADRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-6-8-11(5,7-2)12(9(3)13)10(4)14/h6-8H2,1-5H3.
What are the key properties of N-acetyl-N-(3-methylhexan-3-yl)acetamide?
N-acetyl-N-(3-methylhexan-3-yl)acetamide has a molecular weight of 199.29 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(3-methylhexan-3-yl)acetamide is sourced from PubChem (CID 89349857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).