3,3-dimethyl-N-tetradecylbutanamide

C20H41NO — CID 156529855

IUPAC3,3-dimethyl-N-tetradecylbutanamide
SMILESCCCCCCCCCCCCCCNC(=O)CC(C)(C)C
InChIInChI=1S/C20H41NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-19(22)18-20(2,3)4/h5-18H2,1-4H3,(H,21,22)
InChIKeyARENTDGXHVJDTH-UHFFFAOYSA-N
MW311.55 g/mol
LogP6.24
Rot. Bonds14

About 3,3-dimethyl-N-tetradecylbutanamide

3,3-dimethyl-N-tetradecylbutanamide (PubChem CID 156529855) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is 3,3-dimethyl-N-tetradecylbutanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-tetradecylbutanamide
PubChem CID156529855
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Name3,3-dimethyl-N-tetradecylbutanamide
SMILESCCCCCCCCCCCCCCNC(=O)CC(C)(C)C
InChIInChI=1S/C20H41NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-19(22)18-20(2,3)4/h5-18H2,1-4H3,(H,21,22)
InChIKeyARENTDGXHVJDTH-UHFFFAOYSA-N
XLogP6.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,3-dimethyl-N-tetradecylbutanamide 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-(6-iodohexyl)-3,3-dimethylbutanamide
CID 107848022
N-decyl-7,7-dimethyloctanamide
CID 139961894
3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-octadecafluoro-N-hexadecyl-3-methylundecanamide
CID 139719374
S-tert-butyl 3-oxo-3-(tetradecylamino)propanethioate
CID 10915673
N-[12-(decanoylamino)dodecyl]decanamide
CID 142735988
N-[4-(docosanoylamino)butyl]docosanamide
CID 87333313
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N'-heptyl-N-hexylpentanediamide
CID 154688669
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-tetradecylbutanamide?
The IUPAC name of 3,3-dimethyl-N-tetradecylbutanamide (CID 156529855) is 3,3-dimethyl-N-tetradecylbutanamide.
What is the SMILES notation for 3,3-dimethyl-N-tetradecylbutanamide?
The canonical SMILES for 3,3-dimethyl-N-tetradecylbutanamide is CCCCCCCCCCCCCCNC(=O)CC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-tetradecylbutanamide?
The InChIKey is ARENTDGXHVJDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-19(22)18-20(2,3)4/h5-18H2,1-4H3,(H,21,22).
What are the key properties of 3,3-dimethyl-N-tetradecylbutanamide?
3,3-dimethyl-N-tetradecylbutanamide has a molecular weight of 311.55 g/mol, XLogP of 6.24, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-tetradecylbutanamide is sourced from PubChem (CID 156529855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).