2,2-dimethyl-N-[2-(octylamino)ethyl]propanamide

C15H32N2O — CID 157310048

IUPAC2,2-dimethyl-N-[2-(octylamino)ethyl]propanamide
SMILESCCCCCCCCNCCNC(=O)C(C)(C)C
InChIInChI=1S/C15H32N2O/c1-5-6-7-8-9-10-11-16-12-13-17-14(18)15(2,3)4/h16H,5-13H2,1-4H3,(H,17,18)
InChIKeyGSJYWOXVAFXHSW-UHFFFAOYSA-N
MW256.43 g/mol
LogP3.10
Rot. Bonds10

About 2,2-dimethyl-N-[2-(octylamino)ethyl]propanamide

2,2-dimethyl-N-[2-(octylamino)ethyl]propanamide (PubChem CID 157310048) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(octylamino)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(octylamino)ethyl]propanamide
PubChem CID157310048
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2,2-dimethyl-N-[2-(octylamino)ethyl]propanamide
SMILESCCCCCCCCNCCNC(=O)C(C)(C)C
InChIInChI=1S/C15H32N2O/c1-5-6-7-8-9-10-11-16-12-13-17-14(18)15(2,3)4/h16H,5-13H2,1-4H3,(H,17,18)
InChIKeyGSJYWOXVAFXHSW-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
tert-butyl N-[2-(octadecylamino)ethyl]carbamate
CID 168851346
carbonic acid;N-hexylhexan-1-amine
CID 174995198
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669
3-[2-(dodecylamino)ethyl]-1,1-dimethylurea
CID 83113481
N-[5-[5-(hexylamino)pentylamino]pentyl]acetamide
CID 58435545
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N,N'-diheptylhexane-1,6-diamine
CID 3028571
2-(ethylamino)-2-methyl-N-octylpropanamide
CID 113337256

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(octylamino)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(octylamino)ethyl]propanamide (CID 157310048) is 2,2-dimethyl-N-[2-(octylamino)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(octylamino)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(octylamino)ethyl]propanamide is CCCCCCCCNCCNC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[2-(octylamino)ethyl]propanamide?
The InChIKey is GSJYWOXVAFXHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-6-7-8-9-10-11-16-12-13-17-14(18)15(2,3)4/h16H,5-13H2,1-4H3,(H,17,18).
What are the key properties of 2,2-dimethyl-N-[2-(octylamino)ethyl]propanamide?
2,2-dimethyl-N-[2-(octylamino)ethyl]propanamide has a molecular weight of 256.43 g/mol, XLogP of 3.10, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(octylamino)ethyl]propanamide is sourced from PubChem (CID 157310048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).