N-butyl-12-oxotridecanamide

C17H33NO2 — CID 158110868

IUPACN-butyl-12-oxotridecanamide
SMILESCCCCNC(=O)CCCCCCCCCCC(C)=O
InChIInChI=1S/C17H33NO2/c1-3-4-15-18-17(20)14-12-10-8-6-5-7-9-11-13-16(2)19/h3-15H2,1-2H3,(H,18,20)
InChIKeyXXFZKDIQNUBPOY-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.39
Rot. Bonds14

About N-butyl-12-oxotridecanamide

N-butyl-12-oxotridecanamide (PubChem CID 158110868) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is N-butyl-12-oxotridecanamide.

Molecular Properties

Compound NameN-butyl-12-oxotridecanamide
PubChem CID158110868
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC NameN-butyl-12-oxotridecanamide
SMILESCCCCNC(=O)CCCCCCCCCCC(C)=O
InChIInChI=1S/C17H33NO2/c1-3-4-15-18-17(20)14-12-10-8-6-5-7-9-11-13-16(2)19/h3-15H2,1-2H3,(H,18,20)
InChIKeyXXFZKDIQNUBPOY-UHFFFAOYSA-N
XLogP4.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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ethane;N-(6-oxoheptyl)butanamide
CID 143878068
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-pentylicosanamide
CID 139961886

Frequently Asked Questions

What is the IUPAC name of N-butyl-12-oxotridecanamide?
The IUPAC name of N-butyl-12-oxotridecanamide (CID 158110868) is N-butyl-12-oxotridecanamide.
What is the SMILES notation for N-butyl-12-oxotridecanamide?
The canonical SMILES for N-butyl-12-oxotridecanamide is CCCCNC(=O)CCCCCCCCCCC(C)=O.
What is the InChIKey of N-butyl-12-oxotridecanamide?
The InChIKey is XXFZKDIQNUBPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-3-4-15-18-17(20)14-12-10-8-6-5-7-9-11-13-16(2)19/h3-15H2,1-2H3,(H,18,20).
What are the key properties of N-butyl-12-oxotridecanamide?
N-butyl-12-oxotridecanamide has a molecular weight of 283.46 g/mol, XLogP of 4.39, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-12-oxotridecanamide is sourced from PubChem (CID 158110868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).