N-(hydroxymethyl)-6-(methylamino)-N-(6-oxoheptyl)hexanamide

C15H30N2O3 — CID 20645752

IUPACN-(hydroxymethyl)-6-(methylamino)-N-(6-oxoheptyl)hexanamide
SMILESCNCCCCCC(=O)N(CO)CCCCCC(C)=O
InChIInChI=1S/C15H30N2O3/c1-14(19)9-5-4-8-12-17(13-18)15(20)10-6-3-7-11-16-2/h16,18H,3-13H2,1-2H3
InChIKeyHJQSUJZNMAFXSX-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.69
Rot. Bonds13

About N-(hydroxymethyl)-6-(methylamino)-N-(6-oxoheptyl)hexanamide

N-(hydroxymethyl)-6-(methylamino)-N-(6-oxoheptyl)hexanamide (PubChem CID 20645752) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(hydroxymethyl)-6-(methylamino)-N-(6-oxoheptyl)hexanamide.

Molecular Properties

Compound NameN-(hydroxymethyl)-6-(methylamino)-N-(6-oxoheptyl)hexanamide
PubChem CID20645752
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC NameN-(hydroxymethyl)-6-(methylamino)-N-(6-oxoheptyl)hexanamide
SMILESCNCCCCCC(=O)N(CO)CCCCCC(C)=O
InChIInChI=1S/C15H30N2O3/c1-14(19)9-5-4-8-12-17(13-18)15(20)10-6-3-7-11-16-2/h16,18H,3-13H2,1-2H3
InChIKeyHJQSUJZNMAFXSX-UHFFFAOYSA-N
XLogP1.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

13-(methylamino)tridecan-2-one
CID 23382037
ethane;7-(methylamino)heptan-2-one
CID 176694896
methane;12-(methylamino)dodecan-2-one;propane
CID 158218512
ethane;10-(methylamino)decan-2-one;molecular hydrogen
CID 164864463
7-(methylamino)heptan-2-one;1-(methylamino)propan-2-one;tetradecane-2,13-dione
CID 123967487
ethyl 5-(methylamino)pentanoate;ethyl 6-oxoheptanoate
CID 160861105
N,N-didecyl-8-(octylamino)octanamide
CID 172581253
ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide
CID 177339122
6-(octadecylcarbamoylamino)-N,N-dioctylhexanamide
CID 59961361
8-[methyl-[4-(methylamino)butanoyl]amino]octanoic acid
CID 156569276
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-bis(hydroxymethyl)tetradecanamide
CID 54140383

Frequently Asked Questions

What is the IUPAC name of N-(hydroxymethyl)-6-(methylamino)-N-(6-oxoheptyl)hexanamide?
The IUPAC name of N-(hydroxymethyl)-6-(methylamino)-N-(6-oxoheptyl)hexanamide (CID 20645752) is N-(hydroxymethyl)-6-(methylamino)-N-(6-oxoheptyl)hexanamide.
What is the SMILES notation for N-(hydroxymethyl)-6-(methylamino)-N-(6-oxoheptyl)hexanamide?
The canonical SMILES for N-(hydroxymethyl)-6-(methylamino)-N-(6-oxoheptyl)hexanamide is CNCCCCCC(=O)N(CO)CCCCCC(C)=O.
What is the InChIKey of N-(hydroxymethyl)-6-(methylamino)-N-(6-oxoheptyl)hexanamide?
The InChIKey is HJQSUJZNMAFXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-14(19)9-5-4-8-12-17(13-18)15(20)10-6-3-7-11-16-2/h16,18H,3-13H2,1-2H3.
What are the key properties of N-(hydroxymethyl)-6-(methylamino)-N-(6-oxoheptyl)hexanamide?
N-(hydroxymethyl)-6-(methylamino)-N-(6-oxoheptyl)hexanamide has a molecular weight of 286.42 g/mol, XLogP of 1.69, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethyl)-6-(methylamino)-N-(6-oxoheptyl)hexanamide is sourced from PubChem (CID 20645752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).