2,2-dimethyl-N-tetradecylpropanamide

C19H39NO — CID 11220230

IUPAC2,2-dimethyl-N-tetradecylpropanamide
SMILESCCCCCCCCCCCCCCNC(=O)C(C)(C)C
InChIInChI=1S/C19H39NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(21)19(2,3)4/h5-17H2,1-4H3,(H,20,21)
InChIKeyBUNQMAGDJIBQBQ-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.85
Rot. Bonds13

About 2,2-dimethyl-N-tetradecylpropanamide

2,2-dimethyl-N-tetradecylpropanamide (PubChem CID 11220230) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is 2,2-dimethyl-N-tetradecylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-tetradecylpropanamide
PubChem CID11220230
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name2,2-dimethyl-N-tetradecylpropanamide
SMILESCCCCCCCCCCCCCCNC(=O)C(C)(C)C
InChIInChI=1S/C19H39NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(21)19(2,3)4/h5-17H2,1-4H3,(H,20,21)
InChIKeyBUNQMAGDJIBQBQ-UHFFFAOYSA-N
XLogP5.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[2-(octylamino)ethyl]propanamide
CID 157310048
2-(ethylamino)-2-methyl-N-octylpropanamide
CID 113337256
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
2,2,2-trichloro-N-dodecylacetamide
CID 4986291
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
2,2-dichloro-N-pentylpropanamide
CID 12827689
N-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide
CID 170384014
3-hydroxy-2,2-dimethyl-N-pentylpropanamide
CID 171795881
2,2,4,4-tetramethyl-N-octylhexanamide
CID 178052018
2-amino-2-ethyl-N-hexylbutanamide
CID 79810029
2,2,3,3,4,4,5,5-octafluoro-N,N'-dioctylhexanediamide
CID 4134116
N-[2-[(N-butyl-N'-methylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 111152372

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-tetradecylpropanamide?
The IUPAC name of 2,2-dimethyl-N-tetradecylpropanamide (CID 11220230) is 2,2-dimethyl-N-tetradecylpropanamide.
What is the SMILES notation for 2,2-dimethyl-N-tetradecylpropanamide?
The canonical SMILES for 2,2-dimethyl-N-tetradecylpropanamide is CCCCCCCCCCCCCCNC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-tetradecylpropanamide?
The InChIKey is BUNQMAGDJIBQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(21)19(2,3)4/h5-17H2,1-4H3,(H,20,21).
What are the key properties of 2,2-dimethyl-N-tetradecylpropanamide?
2,2-dimethyl-N-tetradecylpropanamide has a molecular weight of 297.53 g/mol, XLogP of 5.85, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-tetradecylpropanamide is sourced from PubChem (CID 11220230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).