N-(8-oxotridecyl)hexanamide

C19H37NO2 — CID 148531467

IUPACN-(8-oxotridecyl)hexanamide
SMILESCCCCCC(=O)CCCCCCCNC(=O)CCCCC
InChIInChI=1S/C19H37NO2/c1-3-5-10-14-18(21)15-12-8-7-9-13-17-20-19(22)16-11-6-4-2/h3-17H2,1-2H3,(H,20,22)
InChIKeyMQJKERXLJBPNBG-UHFFFAOYSA-N
MW311.51 g/mol
LogP5.17
Rot. Bonds16

About N-(8-oxotridecyl)hexanamide

N-(8-oxotridecyl)hexanamide (PubChem CID 148531467) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is N-(8-oxotridecyl)hexanamide.

Molecular Properties

Compound NameN-(8-oxotridecyl)hexanamide
PubChem CID148531467
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC NameN-(8-oxotridecyl)hexanamide
SMILESCCCCCC(=O)CCCCCCCNC(=O)CCCCC
InChIInChI=1S/C19H37NO2/c1-3-5-10-14-18(21)15-12-8-7-9-13-17-20-19(22)16-11-6-4-2/h3-17H2,1-2H3,(H,20,22)
InChIKeyMQJKERXLJBPNBG-UHFFFAOYSA-N
XLogP5.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.51
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(8-oxotridecyl)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
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
N-nonyltridecanamide
CID 154228217
N-pentylicosanamide
CID 139961886
N-hexadecylhexanamide
CID 4953738

Frequently Asked Questions

What is the IUPAC name of N-(8-oxotridecyl)hexanamide?
The IUPAC name of N-(8-oxotridecyl)hexanamide (CID 148531467) is N-(8-oxotridecyl)hexanamide.
What is the SMILES notation for N-(8-oxotridecyl)hexanamide?
The canonical SMILES for N-(8-oxotridecyl)hexanamide is CCCCCC(=O)CCCCCCCNC(=O)CCCCC.
What is the InChIKey of N-(8-oxotridecyl)hexanamide?
The InChIKey is MQJKERXLJBPNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2/c1-3-5-10-14-18(21)15-12-8-7-9-13-17-20-19(22)16-11-6-4-2/h3-17H2,1-2H3,(H,20,22).
What are the key properties of N-(8-oxotridecyl)hexanamide?
N-(8-oxotridecyl)hexanamide has a molecular weight of 311.51 g/mol, XLogP of 5.17, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-oxotridecyl)hexanamide is sourced from PubChem (CID 148531467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).