3-ethyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)heptanamide

C14H24F3NO2 — CID 130457528

IUPAC3-ethyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)heptanamide
SMILESCCCCC(CC)C(=O)C(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C14H24F3NO2/c1-5-7-8-11(6-2)12(19)13(20)18(10(3)4)9-14(15,16)17/h10-11H,5-9H2,1-4H3
InChIKeyQSKOUGYOMXPNKD-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.57
Rot. Bonds8

About 3-ethyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)heptanamide

3-ethyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)heptanamide (PubChem CID 130457528) has the molecular formula C14H24F3NO2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-ethyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)heptanamide.

Molecular Properties

Compound Name3-ethyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)heptanamide
PubChem CID130457528
Molecular FormulaC14H24F3NO2
Molecular Weight295.34 g/mol
Exact Mass295.18
IUPAC Name3-ethyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)heptanamide
SMILESCCCCC(CC)C(=O)C(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C14H24F3NO2/c1-5-7-8-11(6-2)12(19)13(20)18(10(3)4)9-14(15,16)17/h10-11H,5-9H2,1-4H3
InChIKeyQSKOUGYOMXPNKD-UHFFFAOYSA-N
XLogP3.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
CID 78882420
2-Methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one
CID 22953695
2-methyl-1-[(2S)-1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one
CID 59038059
5-Tert-butyl-1-(4,4-difluorocyclohexanecarbonyl)pyrrolidin-3-one
CID 67953197
1-(4,4-Difluorocyclohexanecarbonyl)-5-ethylpyrrolidin-3-one
CID 67953809
2,4-Di(propan-2-yl)-1-(3,3,3-trifluoropropanoyl)azetidin-3-one
CID 70620401
1-[(2S,4R)-1-acetyl-4-(trifluoromethyl)pyrrolidin-2-yl]ethanone
CID 117754930
1-(4,4-Difluorocyclohexanecarbonyl)-5-methylpyrrolidin-3-one
CID 117884717
N-ethyl-3-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pentanamide
CID 130457423
3-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide
CID 130457445
4-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pentanamide
CID 134570976
1-Butan-2-yl-5-(2,2-difluoropropyl)piperidin-2-one
CID 140305849

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)heptanamide?
The IUPAC name of 3-ethyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)heptanamide (CID 130457528) is 3-ethyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)heptanamide.
What is the SMILES notation for 3-ethyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)heptanamide?
The canonical SMILES for 3-ethyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)heptanamide is CCCCC(CC)C(=O)C(=O)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 3-ethyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)heptanamide?
The InChIKey is QSKOUGYOMXPNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c1-5-7-8-11(6-2)12(19)13(20)18(10(3)4)9-14(15,16)17/h10-11H,5-9H2,1-4H3.
What are the key properties of 3-ethyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)heptanamide?
3-ethyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)heptanamide has a molecular weight of 295.34 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)heptanamide is sourced from PubChem (CID 130457528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).