7-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]heptanamide

C11H20F3N3O2 — CID 119737403

IUPAC7-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]heptanamide
SMILESNCCCCCCC(=O)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c12-11(13,14)8-17-10(19)7-16-9(18)5-3-1-2-4-6-15/h1-8,15H2,(H,16,18)(H,17,19)
InChIKeyOHEAQBMJUHPXJE-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.69
Rot. Bonds9

About 7-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]heptanamide

7-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]heptanamide (PubChem CID 119737403) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 7-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]heptanamide
PubChem CID119737403
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name7-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]heptanamide
SMILESNCCCCCCC(=O)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c12-11(13,14)8-17-10(19)7-16-9(18)5-3-1-2-4-6-15/h1-8,15H2,(H,16,18)(H,17,19)
InChIKeyOHEAQBMJUHPXJE-UHFFFAOYSA-N
XLogP0.69
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-(3-amino-2,2-difluoropropyl)heptanamide
CID 122081032
2-(7-aminoheptanoylamino)acetic acid
CID 18934956
6-amino-N-(2-hydroxy-2-methylpropyl)hexanamide
CID 65106883
7-amino-N-(2-methyl-2-methylsulfonylpropyl)heptanamide
CID 79550577
5-amino-N-(3-hydroxy-2,2-dimethylpropyl)pentanamide
CID 115360270
5-amino-N-(2-methyl-2-methylsulfonylpropyl)pentanamide
CID 79550040
6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide
CID 43515188
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
6-amino-N-[2-(dimethylamino)-2-methylpropyl]hexanamide
CID 61249637
4-(7-aminoheptanoylamino)-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119726154
N-[2-(2-aminoethylamino)-2-oxoethyl]heptadecanamide
CID 102194596

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]heptanamide?
The IUPAC name of 7-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]heptanamide (CID 119737403) is 7-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]heptanamide?
The canonical SMILES for 7-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]heptanamide is NCCCCCCC(=O)NCC(=O)NCC(F)(F)F.
What is the InChIKey of 7-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]heptanamide?
The InChIKey is OHEAQBMJUHPXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c12-11(13,14)8-17-10(19)7-16-9(18)5-3-1-2-4-6-15/h1-8,15H2,(H,16,18)(H,17,19).
What are the key properties of 7-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]heptanamide?
7-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]heptanamide has a molecular weight of 283.29 g/mol, XLogP of 0.69, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]heptanamide is sourced from PubChem (CID 119737403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).