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

C12H25NO — CID 170293406

IUPACN-(2,4,4-trimethylheptan-2-yl)acetamide
SMILESCCCC(C)(C)CC(C)(C)NC(C)=O
InChIInChI=1S/C12H25NO/c1-7-8-11(3,4)9-12(5,6)13-10(2)14/h7-9H2,1-6H3,(H,13,14)
InChIKeyJUXCANVDNWZBJV-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.12
Rot. Bonds5

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

N-(2,4,4-trimethylheptan-2-yl)acetamide (PubChem CID 170293406) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(2,4,4-trimethylheptan-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,4,4-trimethylheptan-2-yl)acetamide
PubChem CID170293406
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(2,4,4-trimethylheptan-2-yl)acetamide
SMILESCCCC(C)(C)CC(C)(C)NC(C)=O
InChIInChI=1S/C12H25NO/c1-7-8-11(3,4)9-12(5,6)13-10(2)14/h7-9H2,1-6H3,(H,13,14)
InChIKeyJUXCANVDNWZBJV-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N-(2-methylbutan-2-yl)acetamide
CID 142252022
N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane
CID 144742441
N-(1-hydroxy-2-methylpentan-2-yl)acetamide
CID 131204688
N-(2,4-dimethyl-4-methylsulfanylpentan-2-yl)acetamide
CID 166829740
N-(2,4,4,5-tetramethylhexan-2-yl)acetamide
CID 142527857
4-acetamido-N,2,2,4-tetramethylpentanamide
CID 130219137
N-(6-acetamido-2,6-dimethyl-4-oxoheptan-2-yl)acetamide
CID 139120888
N-(5-amino-2-methylpentan-2-yl)acetamide
CID 131222896
(5-hydroxy-2,4,4-trimethylpentan-2-yl)carbamic acid
CID 88951304
N-[4-[(4-amino-2,4-dimethylpentan-2-yl)disulfanyl]-2,4-dimethylpentan-2-yl]acetamide
CID 171508571
2-(carboxyamino)pentan-2-ylcarbamic acid
CID 174501880
N-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]acetamide
CID 88555245

Frequently Asked Questions

What is the IUPAC name of N-(2,4,4-trimethylheptan-2-yl)acetamide?
The IUPAC name of N-(2,4,4-trimethylheptan-2-yl)acetamide (CID 170293406) is N-(2,4,4-trimethylheptan-2-yl)acetamide.
What is the SMILES notation for N-(2,4,4-trimethylheptan-2-yl)acetamide?
The canonical SMILES for N-(2,4,4-trimethylheptan-2-yl)acetamide is CCCC(C)(C)CC(C)(C)NC(C)=O.
What is the InChIKey of N-(2,4,4-trimethylheptan-2-yl)acetamide?
The InChIKey is JUXCANVDNWZBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-7-8-11(3,4)9-12(5,6)13-10(2)14/h7-9H2,1-6H3,(H,13,14).
What are the key properties of N-(2,4,4-trimethylheptan-2-yl)acetamide?
N-(2,4,4-trimethylheptan-2-yl)acetamide has a molecular weight of 199.34 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,4-trimethylheptan-2-yl)acetamide is sourced from PubChem (CID 170293406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).