N-(7-methyl-6-oxooctyl)-6-oxoheptanamide

C16H29NO3 — CID 129055878

IUPACN-(7-methyl-6-oxooctyl)-6-oxoheptanamide
SMILESCC(=O)CCCCC(=O)NCCCCCC(=O)C(C)C
InChIInChI=1S/C16H29NO3/c1-13(2)15(19)10-5-4-8-12-17-16(20)11-7-6-9-14(3)18/h13H,4-12H2,1-3H3,(H,17,20)
InChIKeyDUAOOPKZLMHVEZ-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.04
Rot. Bonds12

About N-(7-methyl-6-oxooctyl)-6-oxoheptanamide

N-(7-methyl-6-oxooctyl)-6-oxoheptanamide (PubChem CID 129055878) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is N-(7-methyl-6-oxooctyl)-6-oxoheptanamide.

Molecular Properties

Compound NameN-(7-methyl-6-oxooctyl)-6-oxoheptanamide
PubChem CID129055878
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC NameN-(7-methyl-6-oxooctyl)-6-oxoheptanamide
SMILESCC(=O)CCCCC(=O)NCCCCCC(=O)C(C)C
InChIInChI=1S/C16H29NO3/c1-13(2)15(19)10-5-4-8-12-17-16(20)11-7-6-9-14(3)18/h13H,4-12H2,1-3H3,(H,17,20)
InChIKeyDUAOOPKZLMHVEZ-UHFFFAOYSA-N
XLogP3.04
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-6-oxo-N-(6-oxoheptyl)octanamide
CID 138632671
7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide
CID 170246304
7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen
CID 145408102
N-hexyl-7-methyl-6-oxooctanamide
CID 145408132
8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide
CID 178094356
N-ethyl-6-oxoheptanamide;7-methyl-6-oxo-N-pentyloctanamide;molecular hydrogen;propane
CID 145408091
S-methyl 6-[(7-methyl-6-oxooctanoyl)amino]hexanethioate
CID 137425861
14-methylpentadecane-2,13-dione
CID 88544438
N'-(3-methyl-2-oxobutyl)-N-(5-methyl-4-oxohexyl)dodecanediamide
CID 167608472
N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane
CID 145408136
N-(10-oxoundecyl)dodecanamide
CID 171771299
2-methyl-N-(9-methyl-8-oxodecyl)propanamide
CID 167573684

Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-6-oxooctyl)-6-oxoheptanamide?
The IUPAC name of N-(7-methyl-6-oxooctyl)-6-oxoheptanamide (CID 129055878) is N-(7-methyl-6-oxooctyl)-6-oxoheptanamide.
What is the SMILES notation for N-(7-methyl-6-oxooctyl)-6-oxoheptanamide?
The canonical SMILES for N-(7-methyl-6-oxooctyl)-6-oxoheptanamide is CC(=O)CCCCC(=O)NCCCCCC(=O)C(C)C.
What is the InChIKey of N-(7-methyl-6-oxooctyl)-6-oxoheptanamide?
The InChIKey is DUAOOPKZLMHVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-13(2)15(19)10-5-4-8-12-17-16(20)11-7-6-9-14(3)18/h13H,4-12H2,1-3H3,(H,17,20).
What are the key properties of N-(7-methyl-6-oxooctyl)-6-oxoheptanamide?
N-(7-methyl-6-oxooctyl)-6-oxoheptanamide has a molecular weight of 283.41 g/mol, XLogP of 3.04, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-6-oxooctyl)-6-oxoheptanamide is sourced from PubChem (CID 129055878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).