1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide

C13H23F3N2O2 — CID 79581093

IUPAC1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide
SMILESCC(C)NC1(C(N)=O)CCCC1CCOCC(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-9(2)18-12(11(17)19)6-3-4-10(12)5-7-20-8-13(14,15)16/h9-10,18H,3-8H2,1-2H3,(H2,17,19)
InChIKeyOJFQBTZKPCBDKF-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.98
Rot. Bonds7

About 1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide

1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide (PubChem CID 79581093) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide
PubChem CID79581093
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide
SMILESCC(C)NC1(C(N)=O)CCCC1CCOCC(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-9(2)18-12(11(17)19)6-3-4-10(12)5-7-20-8-13(14,15)16/h9-10,18H,3-8H2,1-2H3,(H2,17,19)
InChIKeyOJFQBTZKPCBDKF-UHFFFAOYSA-N
XLogP1.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylic acid
CID 79582092
1-(methylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxylic acid
CID 79581399
2-[2-[methyl(propan-2-yl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79577892
2-[2-(2-cyclopropylethoxy)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 106204227
2-[2-[1-methoxypropan-2-yl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79565645
1-(methylamino)-2-[2-(2-propan-2-yloxyethoxy)ethyl]cyclopentane-1-carboxamide
CID 79581314
1-(methylamino)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxamide
CID 106448811
2-[2-[2-ethoxyethyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 81044055
1-(propan-2-ylamino)-2-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
CID 79575874
2-(2-butoxyethyl)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79586499
1-(propan-2-ylamino)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carboxylic acid
CID 79588108
2-(2-piperidin-1-ylethyl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79578077

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide (CID 79581093) is 1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide is CC(C)NC1(C(N)=O)CCCC1CCOCC(F)(F)F.
What is the InChIKey of 1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide?
The InChIKey is OJFQBTZKPCBDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-9(2)18-12(11(17)19)6-3-4-10(12)5-7-20-8-13(14,15)16/h9-10,18H,3-8H2,1-2H3,(H2,17,19).
What are the key properties of 1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide?
1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 79581093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).