N-pentyl-2-(2,2,2-trifluoroethoxyamino)propanamide

C10H19F3N2O2 — CID 82722236

IUPACN-pentyl-2-(2,2,2-trifluoroethoxyamino)propanamide
SMILESCCCCCNC(=O)C(C)NOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-4-5-6-14-9(16)8(2)15-17-7-10(11,12)13/h8,15H,3-7H2,1-2H3,(H,14,16)
InChIKeyFLTHXSSMSQPIQH-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.76
Rot. Bonds8

About N-pentyl-2-(2,2,2-trifluoroethoxyamino)propanamide

N-pentyl-2-(2,2,2-trifluoroethoxyamino)propanamide (PubChem CID 82722236) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-pentyl-2-(2,2,2-trifluoroethoxyamino)propanamide.

Molecular Properties

Compound NameN-pentyl-2-(2,2,2-trifluoroethoxyamino)propanamide
PubChem CID82722236
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC NameN-pentyl-2-(2,2,2-trifluoroethoxyamino)propanamide
SMILESCCCCCNC(=O)C(C)NOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-4-5-6-14-9(16)8(2)15-17-7-10(11,12)13/h8,15H,3-7H2,1-2H3,(H,14,16)
InChIKeyFLTHXSSMSQPIQH-UHFFFAOYSA-N
XLogP1.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-ynyl-2-(2,2,2-trifluoroethoxyamino)propanamide
CID 82721631
2-[(2-amino-2-oxoethoxy)amino]-N-pentylpropanamide
CID 112673608
2-[(2-methylpropan-2-yl)oxyamino]-N-pentylpropanamide
CID 82724423
N-hexyl-2-[1-(hexylamino)-1-oxopropan-2-yl]oxypropanamide
CID 175959027
N-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 82711441
2-(2,2,2-trifluoroethoxyamino)hexanoic acid
CID 103261646
N-butyl-2-(2,2,2-trifluoroethoxyamino)acetamide
CID 82722976
2-[[1-oxo-1-(pentylamino)propan-2-yl]amino]ethyl carbamate
CID 83210164
N-(2,2,2-trifluoroethoxy)dodecan-1-amine
CID 82721644
2-methyl-N-nonyldecanamide
CID 141429494
ethane;4-(heptylamino)-3-methyl-4-oxobutanoic acid
CID 145321345
2-(3-methoxypropylamino)-N-pentylpropanamide
CID 43131874

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-(2,2,2-trifluoroethoxyamino)propanamide?
The IUPAC name of N-pentyl-2-(2,2,2-trifluoroethoxyamino)propanamide (CID 82722236) is N-pentyl-2-(2,2,2-trifluoroethoxyamino)propanamide.
What is the SMILES notation for N-pentyl-2-(2,2,2-trifluoroethoxyamino)propanamide?
The canonical SMILES for N-pentyl-2-(2,2,2-trifluoroethoxyamino)propanamide is CCCCCNC(=O)C(C)NOCC(F)(F)F.
What is the InChIKey of N-pentyl-2-(2,2,2-trifluoroethoxyamino)propanamide?
The InChIKey is FLTHXSSMSQPIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-3-4-5-6-14-9(16)8(2)15-17-7-10(11,12)13/h8,15H,3-7H2,1-2H3,(H,14,16).
What are the key properties of N-pentyl-2-(2,2,2-trifluoroethoxyamino)propanamide?
N-pentyl-2-(2,2,2-trifluoroethoxyamino)propanamide has a molecular weight of 256.27 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-(2,2,2-trifluoroethoxyamino)propanamide is sourced from PubChem (CID 82722236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).