N-(azepan-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide

C11H19F3N2O2 — CID 105061008

IUPACN-(azepan-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NC1CCCNCC1
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)8-18-7-4-10(17)16-9-2-1-5-15-6-3-9/h9,15H,1-8H2,(H,16,17)
InChIKeyMVVSWTBFQLDCAH-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.21
Rot. Bonds5

About N-(azepan-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(azepan-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 105061008) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(azepan-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID105061008
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC NameN-(azepan-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NC1CCCNCC1
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)8-18-7-4-10(17)16-9-2-1-5-15-6-3-9/h9,15H,1-8H2,(H,16,17)
InChIKeyMVVSWTBFQLDCAH-UHFFFAOYSA-N
XLogP1.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.21
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

N-(azepan-4-yl)-3-propoxypropanamide
CID 107172337
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103805909
N-[4-(ethylamino)cyclohexyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103206325
N-(2-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103206930
N-(azepan-4-yl)-2-(2-methoxyethoxy)acetamide
CID 105061038
3-(2,2-difluoroethoxy)-N-piperidin-3-ylpropanamide
CID 103206351
N-(azepan-4-yl)-4-methylpentanamide
CID 105059595
3-(azepan-4-ylamino)-N-cyclopropylpropanamide
CID 103982443
N-(azepan-4-yl)-3-methylsulfonylpropanamide
CID 107172326
N-(azepan-4-yl)dodecanamide
CID 105060891
N-piperidin-4-yl-3-propan-2-yloxypropanamide;hydrochloride
CID 119386638
N-piperidin-3-yl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119425290

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(azepan-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 105061008) is N-(azepan-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(azepan-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(azepan-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)NC1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is MVVSWTBFQLDCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c12-11(13,14)8-18-7-4-10(17)16-9-2-1-5-15-6-3-9/h9,15H,1-8H2,(H,16,17).
What are the key properties of N-(azepan-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(azepan-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 268.28 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 105061008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).