6-oxo-N-pentylhexanamide

C11H21NO2 — CID 90124095

IUPAC6-oxo-N-pentylhexanamide
SMILESCCCCCNC(=O)CCCCC=O
InChIInChI=1S/C11H21NO2/c1-2-3-6-9-12-11(14)8-5-4-7-10-13/h10H,2-9H2,1H3,(H,12,14)
InChIKeyIGHZPPAUZJXWLC-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.05
Rot. Bonds9

About 6-oxo-N-pentylhexanamide

6-oxo-N-pentylhexanamide (PubChem CID 90124095) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 6-oxo-N-pentylhexanamide.

Molecular Properties

Compound Name6-oxo-N-pentylhexanamide
PubChem CID90124095
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name6-oxo-N-pentylhexanamide
SMILESCCCCCNC(=O)CCCCC=O
InChIInChI=1S/C11H21NO2/c1-2-3-6-9-12-11(14)8-5-4-7-10-13/h10H,2-9H2,1H3,(H,12,14)
InChIKeyIGHZPPAUZJXWLC-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

14-oxo-N-pentadecyltetradecanamide
CID 90756507
N-[18-[2-(octadec-9-enoylamino)ethylamino]-18-oxooctadec-9-enyl]docos-13-enamide
CID 123913182
N-(3-oxopropyl)octanamide
CID 163482929
N-hexadecylhexanamide
CID 4953738
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-pentylhexanamide?
The IUPAC name of 6-oxo-N-pentylhexanamide (CID 90124095) is 6-oxo-N-pentylhexanamide.
What is the SMILES notation for 6-oxo-N-pentylhexanamide?
The canonical SMILES for 6-oxo-N-pentylhexanamide is CCCCCNC(=O)CCCCC=O.
What is the InChIKey of 6-oxo-N-pentylhexanamide?
The InChIKey is IGHZPPAUZJXWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-3-6-9-12-11(14)8-5-4-7-10-13/h10H,2-9H2,1H3,(H,12,14).
What are the key properties of 6-oxo-N-pentylhexanamide?
6-oxo-N-pentylhexanamide has a molecular weight of 199.29 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-pentylhexanamide is sourced from PubChem (CID 90124095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).