N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide

C12H21F3N2O3 — CID 106612458

IUPACN-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)N(CCO)CC1CCCN1
InChIInChI=1S/C12H21F3N2O3/c13-12(14,15)9-20-7-3-11(19)17(5-6-18)8-10-2-1-4-16-10/h10,16,18H,1-9H2
InChIKeyDGLZGOWQHGIASA-UHFFFAOYSA-N
MW298.31 g/mol
LogP0.53
Rot. Bonds8

About N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 106612458) has the molecular formula C12H21F3N2O3 and a molecular weight of 298.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID106612458
Molecular FormulaC12H21F3N2O3
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC NameN-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)N(CCO)CC1CCCN1
InChIInChI=1S/C12H21F3N2O3/c13-12(14,15)9-20-7-3-11(19)17(5-6-18)8-10-2-1-4-16-10/h10,16,18H,1-9H2
InChIKeyDGLZGOWQHGIASA-UHFFFAOYSA-N
XLogP0.53
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 106610292
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 106608175
N-(2-hydroxyethyl)-3-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106612468
3-(2,2-difluoroethoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106610729
N-(2-hydroxyethyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)pentanamide
CID 106612775
2-cyclohexyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106612848
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106611388
N-(2-methylpropyl)-3-propoxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106611256
N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106612022
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106611566
N-(2-hydroxyethyl)-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106612969
N-(2-hydroxyethyl)-3-imidazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106613013

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 106612458) is N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)N(CCO)CC1CCCN1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is DGLZGOWQHGIASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O3/c13-12(14,15)9-20-7-3-11(19)17(5-6-18)8-10-2-1-4-16-10/h10,16,18H,1-9H2.
What are the key properties of N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 298.31 g/mol, XLogP of 0.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 106612458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).