2-[3-(2-hydroxyethoxy)propylamino]-N-(2,2,2-trifluoroethyl)propanamide

C10H19F3N2O3 — CID 106309732

IUPAC2-[3-(2-hydroxyethoxy)propylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCCCOCCO)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O3/c1-8(9(17)15-7-10(11,12)13)14-3-2-5-18-6-4-16/h8,14,16H,2-7H2,1H3,(H,15,17)
InChIKeyRNFSVLYDLTZXAN-UHFFFAOYSA-N
MW272.27 g/mol
LogP0.04
Rot. Bonds9

About 2-[3-(2-hydroxyethoxy)propylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[3-(2-hydroxyethoxy)propylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 106309732) has the molecular formula C10H19F3N2O3 and a molecular weight of 272.27 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethoxy)propylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[3-(2-hydroxyethoxy)propylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID106309732
Molecular FormulaC10H19F3N2O3
Molecular Weight272.27 g/mol
Exact Mass272.13
IUPAC Name2-[3-(2-hydroxyethoxy)propylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCCCOCCO)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O3/c1-8(9(17)15-7-10(11,12)13)14-3-2-5-18-6-4-16/h8,14,16H,2-7H2,1H3,(H,15,17)
InChIKeyRNFSVLYDLTZXAN-UHFFFAOYSA-N
XLogP0.04
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(cyclopropylmethoxy)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 113233536
2-(pent-4-ynylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 103711244
2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574816
2-[2-(2-hydroxyethoxy)ethylamino]-N-prop-2-ynylpropanamide
CID 60720256
N,N-diethyl-2-[3-(2-hydroxyethoxy)propylamino]propanamide
CID 114171795
N-(3-methoxypropyl)-2-(3-propoxypropylamino)propanamide
CID 82943912
2-(2-ethylsulfinylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 113494695
2-[2-(2-hydroxyethoxy)ethylamino]-N-propan-2-ylpropanamide
CID 60654173
3-[3-(2-hydroxyethoxy)propylamino]-2-methyl-3-oxopropanoic acid
CID 106307494
2-[3-(2-methylpropoxy)propylamino]-N-(2-methylpropyl)propanamide
CID 103604221
2-bromo-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide
CID 106309578
ethyl 3-[3-(2-hydroxyethoxy)propylamino]butanoate
CID 106305458

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethoxy)propylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[3-(2-hydroxyethoxy)propylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 106309732) is 2-[3-(2-hydroxyethoxy)propylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[3-(2-hydroxyethoxy)propylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[3-(2-hydroxyethoxy)propylamino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NCCCOCCO)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[3-(2-hydroxyethoxy)propylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is RNFSVLYDLTZXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O3/c1-8(9(17)15-7-10(11,12)13)14-3-2-5-18-6-4-16/h8,14,16H,2-7H2,1H3,(H,15,17).
What are the key properties of 2-[3-(2-hydroxyethoxy)propylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[3-(2-hydroxyethoxy)propylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 272.27 g/mol, XLogP of 0.04, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethoxy)propylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 106309732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).