N-(4-methoxy-2,2-dimethylbutyl)acetamide

C9H19NO2 — CID 104625400

IUPACN-(4-methoxy-2,2-dimethylbutyl)acetamide
SMILESCOCCC(C)(C)CNC(C)=O
InChIInChI=1S/C9H19NO2/c1-8(11)10-7-9(2,3)5-6-12-4/h5-7H2,1-4H3,(H,10,11)
InChIKeyQYABGKWYBWJWJM-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.19
Rot. Bonds5

About N-(4-methoxy-2,2-dimethylbutyl)acetamide

N-(4-methoxy-2,2-dimethylbutyl)acetamide (PubChem CID 104625400) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(4-methoxy-2,2-dimethylbutyl)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-2,2-dimethylbutyl)acetamide
PubChem CID104625400
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-(4-methoxy-2,2-dimethylbutyl)acetamide
SMILESCOCCC(C)(C)CNC(C)=O
InChIInChI=1S/C9H19NO2/c1-8(11)10-7-9(2,3)5-6-12-4/h5-7H2,1-4H3,(H,10,11)
InChIKeyQYABGKWYBWJWJM-UHFFFAOYSA-N
XLogP1.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methoxy-2,2-dimethylbutyl)amino]-2-oxoacetic acid
CID 104768994
N-(2-aminoethyl)-N'-(4-methoxy-2,2-dimethylbutyl)oxamide
CID 114124548
N-(4-methoxy-2,2-dimethylbutyl)-2-propan-2-yloxyacetamide
CID 104625347
methyl 5-methoxy-3,3-dimethylpentanoate
CID 153309889
N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybutanamide
CID 103899565
N-(4-methoxy-2,2-dimethylbutyl)-3,5-dimethylbenzamide
CID 122141755
N-(4-methoxy-2,2-dimethylbutyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 114126470
N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide
CID 155398854
phenyl N-(4-methoxy-2,2-dimethylbutyl)carbamate
CID 104625801
1-[2-[(4-methoxy-2,2-dimethylbutyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 104623085
N-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 103712321
N-(3-amino-2,2-dimethylpropyl)-4-methoxybutanamide
CID 115365695

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)acetamide?
The IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)acetamide (CID 104625400) is N-(4-methoxy-2,2-dimethylbutyl)acetamide.
What is the SMILES notation for N-(4-methoxy-2,2-dimethylbutyl)acetamide?
The canonical SMILES for N-(4-methoxy-2,2-dimethylbutyl)acetamide is COCCC(C)(C)CNC(C)=O.
What is the InChIKey of N-(4-methoxy-2,2-dimethylbutyl)acetamide?
The InChIKey is QYABGKWYBWJWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(11)10-7-9(2,3)5-6-12-4/h5-7H2,1-4H3,(H,10,11).
What are the key properties of N-(4-methoxy-2,2-dimethylbutyl)acetamide?
N-(4-methoxy-2,2-dimethylbutyl)acetamide has a molecular weight of 173.26 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,2-dimethylbutyl)acetamide is sourced from PubChem (CID 104625400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).