2-ethyl-N-(6-oxoheptyl)butanamide

C13H25NO2 — CID 130267698

IUPAC2-ethyl-N-(6-oxoheptyl)butanamide
SMILESCCC(CC)C(=O)NCCCCCC(C)=O
InChIInChI=1S/C13H25NO2/c1-4-12(5-2)13(16)14-10-8-6-7-9-11(3)15/h12H,4-10H2,1-3H3,(H,14,16)
InChIKeyPXJSZQBSCTUOBJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.69
Rot. Bonds9

About 2-ethyl-N-(6-oxoheptyl)butanamide

2-ethyl-N-(6-oxoheptyl)butanamide (PubChem CID 130267698) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-ethyl-N-(6-oxoheptyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(6-oxoheptyl)butanamide
PubChem CID130267698
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-ethyl-N-(6-oxoheptyl)butanamide
SMILESCCC(CC)C(=O)NCCCCCC(C)=O
InChIInChI=1S/C13H25NO2/c1-4-12(5-2)13(16)14-10-8-6-7-9-11(3)15/h12H,4-10H2,1-3H3,(H,14,16)
InChIKeyPXJSZQBSCTUOBJ-UHFFFAOYSA-N
XLogP2.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.69
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-(8-oxononyl)acetamide
CID 58114719
N-(12-oxotridecyl)propanamide
CID 171540592
ethane;N-(6-oxoheptyl)butanamide
CID 143878068
2-ethyl-N-undecylpentanamide
CID 160695439
N-(10-oxoundecyl)dodecanamide
CID 171771299
N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane
CID 145408136
3-methyl-4-oxo-4-(6-oxoheptylamino)butanoic acid
CID 129183093
3-methyl-N-(10-oxoundecyl)butanamide
CID 167541538
8-(ethylamino)octan-2-one
CID 170584616
1,3-bis(5-oxohexyl)thiourea
CID 56598326
docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(6-oxoheptyl)butanamide?
The IUPAC name of 2-ethyl-N-(6-oxoheptyl)butanamide (CID 130267698) is 2-ethyl-N-(6-oxoheptyl)butanamide.
What is the SMILES notation for 2-ethyl-N-(6-oxoheptyl)butanamide?
The canonical SMILES for 2-ethyl-N-(6-oxoheptyl)butanamide is CCC(CC)C(=O)NCCCCCC(C)=O.
What is the InChIKey of 2-ethyl-N-(6-oxoheptyl)butanamide?
The InChIKey is PXJSZQBSCTUOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-12(5-2)13(16)14-10-8-6-7-9-11(3)15/h12H,4-10H2,1-3H3,(H,14,16).
What are the key properties of 2-ethyl-N-(6-oxoheptyl)butanamide?
2-ethyl-N-(6-oxoheptyl)butanamide has a molecular weight of 227.35 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(6-oxoheptyl)butanamide is sourced from PubChem (CID 130267698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).