12-(hexylamino)dodecanamide

C18H38N2O — CID 174861179

IUPAC12-(hexylamino)dodecanamide
SMILESCCCCCCNCCCCCCCCCCCC(N)=O
InChIInChI=1S/C18H38N2O/c1-2-3-4-13-16-20-17-14-11-9-7-5-6-8-10-12-15-18(19)21/h20H,2-17H2,1H3,(H2,19,21)
InChIKeyKBQFWWZITOKSTP-UHFFFAOYSA-N
MW298.51 g/mol
LogP4.54
Rot. Bonds17

About 12-(hexylamino)dodecanamide

12-(hexylamino)dodecanamide (PubChem CID 174861179) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 12-(hexylamino)dodecanamide.

Molecular Properties

Compound Name12-(hexylamino)dodecanamide
PubChem CID174861179
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name12-(hexylamino)dodecanamide
SMILESCCCCCCNCCCCCCCCCCCC(N)=O
InChIInChI=1S/C18H38N2O/c1-2-3-4-13-16-20-17-14-11-9-7-5-6-8-10-12-15-18(19)21/h20H,2-17H2,1H3,(H2,19,21)
InChIKeyKBQFWWZITOKSTP-UHFFFAOYSA-N
XLogP4.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 54.54
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

6-(decylamino)hexanamide
CID 13292350
4-[4-(tetradecylamino)butylamino]butanamide
CID 175024979
2-(2-hydroxyethylamino)ethanol;3-(octadecylamino)propanamide
CID 175210983
tetrapentacontanamide
CID 139682680
nonacosanamide
CID 21105912
tetradecanamide
CID 175692014
dodecanamide;N-methylmethanamine
CID 159337435
octadecanamide;hydrochloride
CID 87891779
butane;octanamide
CID 87511414
octadecanamide;zinc
CID 87169213
6-(octylcarbamoylamino)hexanamide
CID 11833003
12-(pentylamino)dodecanoic acid
CID 57245176

Frequently Asked Questions

What is the IUPAC name of 12-(hexylamino)dodecanamide?
The IUPAC name of 12-(hexylamino)dodecanamide (CID 174861179) is 12-(hexylamino)dodecanamide.
What is the SMILES notation for 12-(hexylamino)dodecanamide?
The canonical SMILES for 12-(hexylamino)dodecanamide is CCCCCCNCCCCCCCCCCCC(N)=O.
What is the InChIKey of 12-(hexylamino)dodecanamide?
The InChIKey is KBQFWWZITOKSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-2-3-4-13-16-20-17-14-11-9-7-5-6-8-10-12-15-18(19)21/h20H,2-17H2,1H3,(H2,19,21).
What are the key properties of 12-(hexylamino)dodecanamide?
12-(hexylamino)dodecanamide has a molecular weight of 298.51 g/mol, XLogP of 4.54, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(hexylamino)dodecanamide is sourced from PubChem (CID 174861179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).