N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane

C28H58N2O4 — CID 145408136

IUPACN,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane
SMILESCC.CC.CC(=O)CCCCCNC(=O)CCCCC(=O)NCCCCCC(C)=O.CCCC
InChIInChI=1S/C20H36N2O4.C4H10.2C2H6/c1-17(23)11-5-3-9-15-21-19(25)13-7-8-14-20(26)22-16-10-4-6-12-18(2)24;1-3-4-2;2*1-2/h3-16H2,1-2H3,(H,21,25)(H,22,26);3-4H2,1-2H3;2*1-2H3
InChIKeyTUCDMXYIUPIDND-UHFFFAOYSA-N
MW486.78 g/mol
LogP6.94
Rot. Bonds18

About N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane

N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane (PubChem CID 145408136) has the molecular formula C28H58N2O4 and a molecular weight of 486.78 g/mol. Its IUPAC name is N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane.

Molecular Properties

Compound NameN,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane
PubChem CID145408136
Molecular FormulaC28H58N2O4
Molecular Weight486.78 g/mol
Exact Mass486.44
IUPAC NameN,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane
SMILESCC.CC.CC(=O)CCCCCNC(=O)CCCCC(=O)NCCCCCC(C)=O.CCCC
InChIInChI=1S/C20H36N2O4.C4H10.2C2H6/c1-17(23)11-5-3-9-15-21-19(25)13-7-8-14-20(26)22-16-10-4-6-12-18(2)24;1-3-4-2;2*1-2/h3-16H2,1-2H3,(H,21,25)(H,22,26);3-4H2,1-2H3;2*1-2H3
InChIKeyTUCDMXYIUPIDND-UHFFFAOYSA-N
XLogP6.94
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.78
LogP ≤ 56.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(10-oxoundecyl)dodecanamide
CID 171771299
ethane;N-(6-oxoheptyl)butanamide
CID 143878068
N-butyl-12-oxotridecanamide
CID 158110868
N-butyl-7-oxooctanamide
CID 153419892
12-oxo-N-propyltridecanamide
CID 135223938
ethane;N-heptylhexadecanamide
CID 142440540
ethane;N-octylhexanamide
CID 177149935
ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide
CID 177339122
N-(12-oxotridecyl)propanamide
CID 171540592
N-pentylicosanamide
CID 139961886
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane?
The IUPAC name of N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane (CID 145408136) is N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane.
What is the SMILES notation for N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane?
The canonical SMILES for N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane is CC.CC.CC(=O)CCCCCNC(=O)CCCCC(=O)NCCCCCC(C)=O.CCCC.
What is the InChIKey of N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane?
The InChIKey is TUCDMXYIUPIDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O4.C4H10.2C2H6/c1-17(23)11-5-3-9-15-21-19(25)13-7-8-14-20(26)22-16-10-4-6-12-18(2)24;1-3-4-2;2*1-2/h3-16H2,1-2H3,(H,21,25)(H,22,26);3-4H2,1-2H3;2*1-2H3.
What are the key properties of N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane?
N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane has a molecular weight of 486.78 g/mol, XLogP of 6.94, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane is sourced from PubChem (CID 145408136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).