N-cyclopentyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide

C12H20F3NO3 — CID 54993977

IUPACN-cyclopentyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)N(CCO)C1CCCC1
InChIInChI=1S/C12H20F3NO3/c13-12(14,15)9-19-8-5-11(18)16(6-7-17)10-3-1-2-4-10/h10,17H,1-9H2
InChIKeyXTJDDDPVKBAIAO-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.72
Rot. Bonds7

About N-cyclopentyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide

N-cyclopentyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 54993977) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-cyclopentyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID54993977
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC NameN-cyclopentyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)N(CCO)C1CCCC1
InChIInChI=1S/C12H20F3NO3/c13-12(14,15)9-19-8-5-11(18)16(6-7-17)10-3-1-2-4-10/h10,17H,1-9H2
InChIKeyXTJDDDPVKBAIAO-UHFFFAOYSA-N
XLogP1.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide
CID 43573602
N-cyclopropyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43577193
N-(2-hydroxyethyl)-N-pentan-3-yl-3-(2,2,2-trifluoroethoxy)propanamide
CID 54994415
2-[Cyclopentyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 60827286
N,N-bis(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 61235279
1-[2-(Hydroxymethyl)pyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 61409036
N-cyclopentyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
CID 61583152
N-cyclopentyl-3,3,3-trifluoro-N-(2-hydroxyethyl)propanamide
CID 61584786
N-cyclopentyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butanamide
CID 65711168
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 66260925
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 79029104
N-(cyanomethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide
CID 103208279

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-cyclopentyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 54993977) is N-cyclopentyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-cyclopentyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-cyclopentyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)N(CCO)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is XTJDDDPVKBAIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c13-12(14,15)9-19-8-5-11(18)16(6-7-17)10-3-1-2-4-10/h10,17H,1-9H2.
What are the key properties of N-cyclopentyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-cyclopentyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 283.29 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 54993977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).