6-(octylcarbamoylamino)hexanamide

C15H31N3O2 — CID 11833003

IUPAC6-(octylcarbamoylamino)hexanamide
SMILESCCCCCCCCNC(=O)NCCCCCC(N)=O
InChIInChI=1S/C15H31N3O2/c1-2-3-4-5-6-9-12-17-15(20)18-13-10-7-8-11-14(16)19/h2-13H2,1H3,(H2,16,19)(H2,17,18,20)
InChIKeyIHZVAEVSCJRLFY-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.69
Rot. Bonds13

About 6-(octylcarbamoylamino)hexanamide

6-(octylcarbamoylamino)hexanamide (PubChem CID 11833003) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 6-(octylcarbamoylamino)hexanamide.

Molecular Properties

Compound Name6-(octylcarbamoylamino)hexanamide
PubChem CID11833003
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name6-(octylcarbamoylamino)hexanamide
SMILESCCCCCCCCNC(=O)NCCCCCC(N)=O
InChIInChI=1S/C15H31N3O2/c1-2-3-4-5-6-9-12-17-15(20)18-13-10-7-8-11-14(16)19/h2-13H2,1H3,(H2,16,19)(H2,17,18,20)
InChIKeyIHZVAEVSCJRLFY-UHFFFAOYSA-N
XLogP2.69
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-docosyldocosanediamide
CID 91257562
hexadecanamide;N-octadecyloctadecanamide
CID 174792473
N'-octylhexanediamide
CID 18377759
22-(docosanoylamino)docosanamide
CID 90926402
1-butyl-3-octylurea
CID 17269600
6-(decylamino)hexanamide
CID 13292350
12-(hexylamino)dodecanamide
CID 174861179
1-propyl-3-tridecylurea
CID 10934987
nonacosanamide
CID 21105912
tetradecanamide
CID 175692014
tetrapentacontanamide
CID 139682680
N'-dodecylbutanediamide
CID 19973702

Frequently Asked Questions

What is the IUPAC name of 6-(octylcarbamoylamino)hexanamide?
The IUPAC name of 6-(octylcarbamoylamino)hexanamide (CID 11833003) is 6-(octylcarbamoylamino)hexanamide.
What is the SMILES notation for 6-(octylcarbamoylamino)hexanamide?
The canonical SMILES for 6-(octylcarbamoylamino)hexanamide is CCCCCCCCNC(=O)NCCCCCC(N)=O.
What is the InChIKey of 6-(octylcarbamoylamino)hexanamide?
The InChIKey is IHZVAEVSCJRLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-2-3-4-5-6-9-12-17-15(20)18-13-10-7-8-11-14(16)19/h2-13H2,1H3,(H2,16,19)(H2,17,18,20).
What are the key properties of 6-(octylcarbamoylamino)hexanamide?
6-(octylcarbamoylamino)hexanamide has a molecular weight of 285.43 g/mol, XLogP of 2.69, 13 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(octylcarbamoylamino)hexanamide is sourced from PubChem (CID 11833003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).