N-(2,4,4-trimethylpentan-2-yl)acetamide

C10H21NO — CID 21608

IUPACN-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCC(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C10H21NO/c1-8(12)11-10(5,6)7-9(2,3)4/h7H2,1-6H3,(H,11,12)
InChIKeyNXQYSOPMKXVSTC-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.34
Rot. Bonds2

About N-(2,4,4-trimethylpentan-2-yl)acetamide

N-(2,4,4-trimethylpentan-2-yl)acetamide (PubChem CID 21608) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-(2,4,4-trimethylpentan-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,4,4-trimethylpentan-2-yl)acetamide
PubChem CID21608
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCC(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C10H21NO/c1-8(12)11-10(5,6)7-9(2,3)4/h7H2,1-6H3,(H,11,12)
InChIKeyNXQYSOPMKXVSTC-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,4,4-trimethylpentan-2-yl)acetamide?
The IUPAC name of N-(2,4,4-trimethylpentan-2-yl)acetamide (CID 21608) is N-(2,4,4-trimethylpentan-2-yl)acetamide.
What is the SMILES notation for N-(2,4,4-trimethylpentan-2-yl)acetamide?
The canonical SMILES for N-(2,4,4-trimethylpentan-2-yl)acetamide is CC(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of N-(2,4,4-trimethylpentan-2-yl)acetamide?
The InChIKey is NXQYSOPMKXVSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(12)11-10(5,6)7-9(2,3)4/h7H2,1-6H3,(H,11,12).
What are the key properties of N-(2,4,4-trimethylpentan-2-yl)acetamide?
N-(2,4,4-trimethylpentan-2-yl)acetamide has a molecular weight of 171.28 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,4-trimethylpentan-2-yl)acetamide is sourced from PubChem (CID 21608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).