N-cyclopentyl-N-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide

C14H25F3N2O — CID 78958467

IUPACN-cyclopentyl-N-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)CCN(C(=O)CNCC(F)(F)F)C1CCCC1
InChIInChI=1S/C14H25F3N2O/c1-11(2)7-8-19(12-5-3-4-6-12)13(20)9-18-10-14(15,16)17/h11-12,18H,3-10H2,1-2H3
InChIKeyQCVJEFUOXBUMNJ-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.96
Rot. Bonds7

About N-cyclopentyl-N-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-cyclopentyl-N-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958467) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-cyclopentyl-N-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958467
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC NameN-cyclopentyl-N-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)CCN(C(=O)CNCC(F)(F)F)C1CCCC1
InChIInChI=1S/C14H25F3N2O/c1-11(2)7-8-19(12-5-3-4-6-12)13(20)9-18-10-14(15,16)17/h11-12,18H,3-10H2,1-2H3
InChIKeyQCVJEFUOXBUMNJ-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-(3-methylbutyl)-2-(prop-2-ynylamino)acetamide
CID 79286851
N-cyclopropyl-2-(2-methoxyethylamino)-N-(3-methylbutyl)acetamide
CID 79282070
2-bromo-N-cyclopropyl-N-(3-methylbutyl)acetamide
CID 63679316
N-methyl-N-(2-methylcyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958112
3-cyclobutyl-1-cyclopentyl-1-(3-methylbutyl)urea
CID 115642218
2-(tert-butylamino)-N-cyclopentyl-N-(2-methylpropyl)acetamide
CID 112727507
N-cyclopentyl-N-(3-methylbutyl)-2-propoxyacetamide
CID 113227391
N-[(1R)-1-cyclopentylethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 81389110
N-cyclopropyl-N-ethyl-2-(3-methylbutylamino)acetamide
CID 60975211
1-cyclopentyl-3-ethyl-3-methyl-1-(3-methylbutyl)urea
CID 116656765
N-benzyl-N-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924228
N-(1-cyclohexylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79005691

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-cyclopentyl-N-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958467) is N-cyclopentyl-N-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-cyclopentyl-N-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-cyclopentyl-N-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide is CC(C)CCN(C(=O)CNCC(F)(F)F)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is QCVJEFUOXBUMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-11(2)7-8-19(12-5-3-4-6-12)13(20)9-18-10-14(15,16)17/h11-12,18H,3-10H2,1-2H3.
What are the key properties of N-cyclopentyl-N-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-cyclopentyl-N-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 294.36 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).