6-oxo-N-[2-[2-(6-oxoheptanoylamino)ethylamino]ethyl]heptanamide

C18H33N3O4 — CID 20656550

IUPAC6-oxo-N-[2-[2-(6-oxoheptanoylamino)ethylamino]ethyl]heptanamide
SMILESCC(=O)CCCCC(=O)NCCNCCNC(=O)CCCCC(C)=O
InChIInChI=1S/C18H33N3O4/c1-15(22)7-3-5-9-17(24)20-13-11-19-12-14-21-18(25)10-6-4-8-16(2)23/h19H,3-14H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyVCIYSLTZQJRDJQ-UHFFFAOYSA-N
MW355.48 g/mol
LogP1.11
Rot. Bonds16

About 6-oxo-N-[2-[2-(6-oxoheptanoylamino)ethylamino]ethyl]heptanamide

6-oxo-N-[2-[2-(6-oxoheptanoylamino)ethylamino]ethyl]heptanamide (PubChem CID 20656550) has the molecular formula C18H33N3O4 and a molecular weight of 355.48 g/mol. Its IUPAC name is 6-oxo-N-[2-[2-(6-oxoheptanoylamino)ethylamino]ethyl]heptanamide.

Molecular Properties

Compound Name6-oxo-N-[2-[2-(6-oxoheptanoylamino)ethylamino]ethyl]heptanamide
PubChem CID20656550
Molecular FormulaC18H33N3O4
Molecular Weight355.48 g/mol
Exact Mass355.25
IUPAC Name6-oxo-N-[2-[2-(6-oxoheptanoylamino)ethylamino]ethyl]heptanamide
SMILESCC(=O)CCCCC(=O)NCCNCCNC(=O)CCCCC(C)=O
InChIInChI=1S/C18H33N3O4/c1-15(22)7-3-5-9-17(24)20-13-11-19-12-14-21-18(25)10-6-4-8-16(2)23/h19H,3-14H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyVCIYSLTZQJRDJQ-UHFFFAOYSA-N
XLogP1.11
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(methylamino)ethylamino]ethyl]-6-oxoheptanamide
CID 59766021
N-[2-[2-(hexanoylamino)ethylamino]ethyl]hexanamide
CID 101386033
methanol;18-oxo-N-(8-oxononyl)octadecanamide
CID 144779859
12-oxo-N-propyltridecanamide
CID 135223938
N-butyl-12-oxotridecanamide
CID 158110868
N-butyl-7-oxooctanamide
CID 153419892
N-(10-oxoundecyl)dodecanamide
CID 171771299
N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane
CID 145408136
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439
N'-[2-(2-hydroxyethylamino)ethyl]-N-propylhexanediamide;methane
CID 162065601
N-[2-(2-hydroxyethylamino)ethyl]undecanamide
CID 102117562
ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide
CID 177339122

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[2-[2-(6-oxoheptanoylamino)ethylamino]ethyl]heptanamide?
The IUPAC name of 6-oxo-N-[2-[2-(6-oxoheptanoylamino)ethylamino]ethyl]heptanamide (CID 20656550) is 6-oxo-N-[2-[2-(6-oxoheptanoylamino)ethylamino]ethyl]heptanamide.
What is the SMILES notation for 6-oxo-N-[2-[2-(6-oxoheptanoylamino)ethylamino]ethyl]heptanamide?
The canonical SMILES for 6-oxo-N-[2-[2-(6-oxoheptanoylamino)ethylamino]ethyl]heptanamide is CC(=O)CCCCC(=O)NCCNCCNC(=O)CCCCC(C)=O.
What is the InChIKey of 6-oxo-N-[2-[2-(6-oxoheptanoylamino)ethylamino]ethyl]heptanamide?
The InChIKey is VCIYSLTZQJRDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O4/c1-15(22)7-3-5-9-17(24)20-13-11-19-12-14-21-18(25)10-6-4-8-16(2)23/h19H,3-14H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of 6-oxo-N-[2-[2-(6-oxoheptanoylamino)ethylamino]ethyl]heptanamide?
6-oxo-N-[2-[2-(6-oxoheptanoylamino)ethylamino]ethyl]heptanamide has a molecular weight of 355.48 g/mol, XLogP of 1.11, 16 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[2-[2-(6-oxoheptanoylamino)ethylamino]ethyl]heptanamide is sourced from PubChem (CID 20656550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).