N-acetyl-3,3-dimethylbutanamide

C8H15NO2 — CID 59565837

IUPACN-acetyl-3,3-dimethylbutanamide
SMILESCC(=O)NC(=O)CC(C)(C)C
InChIInChI=1S/C8H15NO2/c1-6(10)9-7(11)5-8(2,3)4/h5H2,1-4H3,(H,9,10,11)
InChIKeyHDDJEBIFOQEGIG-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.09
Rot. Bonds1

About N-acetyl-3,3-dimethylbutanamide

N-acetyl-3,3-dimethylbutanamide (PubChem CID 59565837) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-acetyl-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-acetyl-3,3-dimethylbutanamide
PubChem CID59565837
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-acetyl-3,3-dimethylbutanamide
SMILESCC(=O)NC(=O)CC(C)(C)C
InChIInChI=1S/C8H15NO2/c1-6(10)9-7(11)5-8(2,3)4/h5H2,1-4H3,(H,9,10,11)
InChIKeyHDDJEBIFOQEGIG-UHFFFAOYSA-N
XLogP1.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-acetyl-3,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3,3-dimethylbutanoylamino)cyclobutyl]-3,3-dimethylbutanamide
CID 159337962
N-acetyl-2-chloroacetamide
CID 2366697
CID 159178711
CID 159178711
ethane;N-ethyl-3,3-dimethylbutanamide;tungsten(2+)
CID 148872040
3,3-dimethyl-N-[(3R)-2-methyl-4-oxopentan-3-yl]butanamide
CID 142180452
N-[(tert-butylamino)methyl]-3,3-dimethylbutanamide
CID 59184455
3,3-dimethyl-N-[(Z)-prop-1-enyl]butanamide
CID 11469197
N-[N-acetyl-N'-(4,4-dimethylpentyl)carbamimidoyl]acetamide
CID 59464026
N-acetyl-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propanamide
CID 163632638
tris(N-acetylacetamide);gallane
CID 175572719
N-(4-hydroxy-2-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 58875139
3,3-dimethyl-N-(2-oxobutyl)butanamide
CID 149102417

Frequently Asked Questions

What is the IUPAC name of N-acetyl-3,3-dimethylbutanamide?
The IUPAC name of N-acetyl-3,3-dimethylbutanamide (CID 59565837) is N-acetyl-3,3-dimethylbutanamide.
What is the SMILES notation for N-acetyl-3,3-dimethylbutanamide?
The canonical SMILES for N-acetyl-3,3-dimethylbutanamide is CC(=O)NC(=O)CC(C)(C)C.
What is the InChIKey of N-acetyl-3,3-dimethylbutanamide?
The InChIKey is HDDJEBIFOQEGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(10)9-7(11)5-8(2,3)4/h5H2,1-4H3,(H,9,10,11).
What are the key properties of N-acetyl-3,3-dimethylbutanamide?
N-acetyl-3,3-dimethylbutanamide has a molecular weight of 157.21 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-3,3-dimethylbutanamide is sourced from PubChem (CID 59565837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).