N-butyl-7-oxooctanamide

C12H23NO2 — CID 153419892

IUPACN-butyl-7-oxooctanamide
SMILESCCCCNC(=O)CCCCCC(C)=O
InChIInChI=1S/C12H23NO2/c1-3-4-10-13-12(15)9-7-5-6-8-11(2)14/h3-10H2,1-2H3,(H,13,15)
InChIKeyVBMYCSSTSGWGME-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.44
Rot. Bonds9

About N-butyl-7-oxooctanamide

N-butyl-7-oxooctanamide (PubChem CID 153419892) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-butyl-7-oxooctanamide.

Molecular Properties

Compound NameN-butyl-7-oxooctanamide
PubChem CID153419892
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-butyl-7-oxooctanamide
SMILESCCCCNC(=O)CCCCCC(C)=O
InChIInChI=1S/C12H23NO2/c1-3-4-10-13-12(15)9-7-5-6-8-11(2)14/h3-10H2,1-2H3,(H,13,15)
InChIKeyVBMYCSSTSGWGME-UHFFFAOYSA-N
XLogP2.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.44
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

N-butyl-12-oxotridecanamide
CID 158110868
N-(10-oxoundecyl)dodecanamide
CID 171771299
N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane
CID 145408136
12-oxo-N-propyltridecanamide
CID 135223938
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-[4-(heptanoylamino)butyl]heptanamide
CID 3363703

Frequently Asked Questions

What is the IUPAC name of N-butyl-7-oxooctanamide?
The IUPAC name of N-butyl-7-oxooctanamide (CID 153419892) is N-butyl-7-oxooctanamide.
What is the SMILES notation for N-butyl-7-oxooctanamide?
The canonical SMILES for N-butyl-7-oxooctanamide is CCCCNC(=O)CCCCCC(C)=O.
What is the InChIKey of N-butyl-7-oxooctanamide?
The InChIKey is VBMYCSSTSGWGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-4-10-13-12(15)9-7-5-6-8-11(2)14/h3-10H2,1-2H3,(H,13,15).
What are the key properties of N-butyl-7-oxooctanamide?
N-butyl-7-oxooctanamide has a molecular weight of 213.32 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-7-oxooctanamide is sourced from PubChem (CID 153419892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).