N-(2,6-dimethylheptan-4-yl)acetamide

C11H23NO — CID 177155812

IUPACN-(2,6-dimethylheptan-4-yl)acetamide
SMILESCC(=O)NC(CC(C)C)CC(C)C
InChIInChI=1S/C11H23NO/c1-8(2)6-11(7-9(3)4)12-10(5)13/h8-9,11H,6-7H2,1-5H3,(H,12,13)
InChIKeyWBSWOLQCXCVDOL-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.58
Rot. Bonds5

About N-(2,6-dimethylheptan-4-yl)acetamide

N-(2,6-dimethylheptan-4-yl)acetamide (PubChem CID 177155812) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-(2,6-dimethylheptan-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylheptan-4-yl)acetamide
PubChem CID177155812
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-(2,6-dimethylheptan-4-yl)acetamide
SMILESCC(=O)NC(CC(C)C)CC(C)C
InChIInChI=1S/C11H23NO/c1-8(2)6-11(7-9(3)4)12-10(5)13/h8-9,11H,6-7H2,1-5H3,(H,12,13)
InChIKeyWBSWOLQCXCVDOL-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(13-Methyltetradecyl)acetamide
CID 47346
N-butan-2-yl-3-methylbutanamide
CID 234387
6-Acetamidotridecane
CID 11770595
Acetamide, N-(4-hexyl-1-cyclohexyl)-
CID 38108
Acetamide, N-(3-propyl-2-hexyl)-
CID 40203
Valeramide, N-isopropyl-2-propyl-
CID 200920
N-(2-Propylpentyl)ethanimidic acid
CID 218531
N-(4-Methylcyclohexyl)acetamide
CID 286632
N-(Octan-2-yl)acetamide
CID 529463
Butyramide, N-(4-heptyl)-
CID 38663
Propionamide, N-(1-methyl-2-propylpentyl)-
CID 3040306
N-[(2S)-2-amino-4-methylpentyl]acetamide
CID 127044707

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylheptan-4-yl)acetamide?
The IUPAC name of N-(2,6-dimethylheptan-4-yl)acetamide (CID 177155812) is N-(2,6-dimethylheptan-4-yl)acetamide.
What is the SMILES notation for N-(2,6-dimethylheptan-4-yl)acetamide?
The canonical SMILES for N-(2,6-dimethylheptan-4-yl)acetamide is CC(=O)NC(CC(C)C)CC(C)C.
What is the InChIKey of N-(2,6-dimethylheptan-4-yl)acetamide?
The InChIKey is WBSWOLQCXCVDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-8(2)6-11(7-9(3)4)12-10(5)13/h8-9,11H,6-7H2,1-5H3,(H,12,13).
What are the key properties of N-(2,6-dimethylheptan-4-yl)acetamide?
N-(2,6-dimethylheptan-4-yl)acetamide has a molecular weight of 185.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylheptan-4-yl)acetamide is sourced from PubChem (CID 177155812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).