N-ethyl-6-oxoheptanamide;7-methyl-6-oxo-N-pentyloctanamide;molecular hydrogen;propane

C26H56N2O4 — CID 145408091

IUPACN-ethyl-6-oxoheptanamide;7-methyl-6-oxo-N-pentyloctanamide;molecular hydrogen;propane
SMILESCCC.CCCCCNC(=O)CCCCC(=O)C(C)C.CCNC(=O)CCCCC(C)=O.[H][H].[H][H]
InChIInChI=1S/C14H27NO2.C9H17NO2.C3H8.2H2/c1-4-5-8-11-15-14(17)10-7-6-9-13(16)12(2)3;1-3-10-9(12)7-5-4-6-8(2)11;1-3-2;;/h12H,4-11H2,1-3H3,(H,15,17);3-7H2,1-2H3,(H,10,12);3H2,1-2H3;2*1H
InChIKeyQSGBSTRVEMKZEQ-UHFFFAOYSA-N
MW460.74 g/mol
LogP6.26
Rot. Bonds16

About N-ethyl-6-oxoheptanamide;7-methyl-6-oxo-N-pentyloctanamide;molecular hydrogen;propane

N-ethyl-6-oxoheptanamide;7-methyl-6-oxo-N-pentyloctanamide;molecular hydrogen;propane (PubChem CID 145408091) has the molecular formula C26H56N2O4 and a molecular weight of 460.74 g/mol. Its IUPAC name is N-ethyl-6-oxoheptanamide;7-methyl-6-oxo-N-pentyloctanamide;molecular hydrogen;propane.

Molecular Properties

Compound NameN-ethyl-6-oxoheptanamide;7-methyl-6-oxo-N-pentyloctanamide;molecular hydrogen;propane
PubChem CID145408091
Molecular FormulaC26H56N2O4
Molecular Weight460.74 g/mol
Exact Mass460.42
IUPAC NameN-ethyl-6-oxoheptanamide;7-methyl-6-oxo-N-pentyloctanamide;molecular hydrogen;propane
SMILESCCC.CCCCCNC(=O)CCCCC(=O)C(C)C.CCNC(=O)CCCCC(C)=O.[H][H].[H][H]
InChIInChI=1S/C14H27NO2.C9H17NO2.C3H8.2H2/c1-4-5-8-11-15-14(17)10-7-6-9-13(16)12(2)3;1-3-10-9(12)7-5-4-6-8(2)11;1-3-2;;/h12H,4-11H2,1-3H3,(H,15,17);3-7H2,1-2H3,(H,10,12);3H2,1-2H3;2*1H
InChIKeyQSGBSTRVEMKZEQ-UHFFFAOYSA-N
XLogP6.26
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.74
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
N-hexyl-7-methyl-6-oxooctanamide
CID 145408132
N-(7-methyl-6-oxooctyl)-6-oxoheptanamide
CID 129055878
7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen
CID 145408102
N-(10-oxoundecyl)dodecanamide
CID 171771299
7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide
CID 170246304
N-butyl-12-oxotridecanamide
CID 158110868
N-butyl-7-oxooctanamide
CID 153419892
ethane;molecular hydrogen;N-pentyltridecanamide
CID 142045594
molecular hydrogen;N-pentyl-5-(propan-2-ylamino)pentanamide
CID 166554721
N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane
CID 145408136
N-dodecylhexanamide
CID 3362981

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-oxoheptanamide;7-methyl-6-oxo-N-pentyloctanamide;molecular hydrogen;propane?
The IUPAC name of N-ethyl-6-oxoheptanamide;7-methyl-6-oxo-N-pentyloctanamide;molecular hydrogen;propane (CID 145408091) is N-ethyl-6-oxoheptanamide;7-methyl-6-oxo-N-pentyloctanamide;molecular hydrogen;propane.
What is the SMILES notation for N-ethyl-6-oxoheptanamide;7-methyl-6-oxo-N-pentyloctanamide;molecular hydrogen;propane?
The canonical SMILES for N-ethyl-6-oxoheptanamide;7-methyl-6-oxo-N-pentyloctanamide;molecular hydrogen;propane is CCC.CCCCCNC(=O)CCCCC(=O)C(C)C.CCNC(=O)CCCCC(C)=O.[H][H].[H][H].
What is the InChIKey of N-ethyl-6-oxoheptanamide;7-methyl-6-oxo-N-pentyloctanamide;molecular hydrogen;propane?
The InChIKey is QSGBSTRVEMKZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2.C9H17NO2.C3H8.2H2/c1-4-5-8-11-15-14(17)10-7-6-9-13(16)12(2)3;1-3-10-9(12)7-5-4-6-8(2)11;1-3-2;;/h12H,4-11H2,1-3H3,(H,15,17);3-7H2,1-2H3,(H,10,12);3H2,1-2H3;2*1H.
What are the key properties of N-ethyl-6-oxoheptanamide;7-methyl-6-oxo-N-pentyloctanamide;molecular hydrogen;propane?
N-ethyl-6-oxoheptanamide;7-methyl-6-oxo-N-pentyloctanamide;molecular hydrogen;propane has a molecular weight of 460.74 g/mol, XLogP of 6.26, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-oxoheptanamide;7-methyl-6-oxo-N-pentyloctanamide;molecular hydrogen;propane is sourced from PubChem (CID 145408091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).