N-[6-[acetyl(methyl)amino]hexyl]-N-methyl-6-(pentanoylamino)hexanamide

C21H41N3O3 — CID 169077270

IUPACN-[6-[acetyl(methyl)amino]hexyl]-N-methyl-6-(pentanoylamino)hexanamide
SMILESCCCCC(=O)NCCCCCC(=O)N(C)CCCCCCN(C)C(C)=O
InChIInChI=1S/C21H41N3O3/c1-5-6-14-20(26)22-16-11-9-10-15-21(27)24(4)18-13-8-7-12-17-23(3)19(2)25/h5-18H2,1-4H3,(H,22,26)
InChIKeyXWCXPZOFLCYZCP-UHFFFAOYSA-N
MW383.58 g/mol
LogP3.35
Rot. Bonds16

About N-[6-[acetyl(methyl)amino]hexyl]-N-methyl-6-(pentanoylamino)hexanamide

N-[6-[acetyl(methyl)amino]hexyl]-N-methyl-6-(pentanoylamino)hexanamide (PubChem CID 169077270) has the molecular formula C21H41N3O3 and a molecular weight of 383.58 g/mol. Its IUPAC name is N-[6-[acetyl(methyl)amino]hexyl]-N-methyl-6-(pentanoylamino)hexanamide.

Molecular Properties

Compound NameN-[6-[acetyl(methyl)amino]hexyl]-N-methyl-6-(pentanoylamino)hexanamide
PubChem CID169077270
Molecular FormulaC21H41N3O3
Molecular Weight383.58 g/mol
Exact Mass383.31
IUPAC NameN-[6-[acetyl(methyl)amino]hexyl]-N-methyl-6-(pentanoylamino)hexanamide
SMILESCCCCC(=O)NCCCCCC(=O)N(C)CCCCCCN(C)C(C)=O
InChIInChI=1S/C21H41N3O3/c1-5-6-14-20(26)22-16-11-9-10-15-21(27)24(4)18-13-8-7-12-17-23(3)19(2)25/h5-18H2,1-4H3,(H,22,26)
InChIKeyXWCXPZOFLCYZCP-UHFFFAOYSA-N
XLogP3.35
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dioctadecyl-N-pentylhexanediamide
CID 174301276
N-[4-(dimethylamino)butyl]docosanamide
CID 87265167
N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
N-[7-(pentanoylamino)heptyl]pentanamide
CID 4139658
6-(dimethylamino)-N-dodecylhexanamide;hydroiodide
CID 158720185
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
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 N-[6-[acetyl(methyl)amino]hexyl]-N-methyl-6-(pentanoylamino)hexanamide?
The IUPAC name of N-[6-[acetyl(methyl)amino]hexyl]-N-methyl-6-(pentanoylamino)hexanamide (CID 169077270) is N-[6-[acetyl(methyl)amino]hexyl]-N-methyl-6-(pentanoylamino)hexanamide.
What is the SMILES notation for N-[6-[acetyl(methyl)amino]hexyl]-N-methyl-6-(pentanoylamino)hexanamide?
The canonical SMILES for N-[6-[acetyl(methyl)amino]hexyl]-N-methyl-6-(pentanoylamino)hexanamide is CCCCC(=O)NCCCCCC(=O)N(C)CCCCCCN(C)C(C)=O.
What is the InChIKey of N-[6-[acetyl(methyl)amino]hexyl]-N-methyl-6-(pentanoylamino)hexanamide?
The InChIKey is XWCXPZOFLCYZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3O3/c1-5-6-14-20(26)22-16-11-9-10-15-21(27)24(4)18-13-8-7-12-17-23(3)19(2)25/h5-18H2,1-4H3,(H,22,26).
What are the key properties of N-[6-[acetyl(methyl)amino]hexyl]-N-methyl-6-(pentanoylamino)hexanamide?
N-[6-[acetyl(methyl)amino]hexyl]-N-methyl-6-(pentanoylamino)hexanamide has a molecular weight of 383.58 g/mol, XLogP of 3.35, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[acetyl(methyl)amino]hexyl]-N-methyl-6-(pentanoylamino)hexanamide is sourced from PubChem (CID 169077270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).