N-(3-ethoxypropyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide

C12H21F3N2O2 — CID 79279417

IUPACN-(3-ethoxypropyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESC=CCNCC(=O)N(CCCOCC)CC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-3-6-16-9-11(18)17(10-12(13,14)15)7-5-8-19-4-2/h3,16H,1,4-10H2,2H3
InChIKeyHQRYZDHBVVBATB-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.58
Rot. Bonds10

About N-(3-ethoxypropyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide

N-(3-ethoxypropyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 79279417) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID79279417
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN-(3-ethoxypropyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESC=CCNCC(=O)N(CCCOCC)CC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-3-6-16-9-11(18)17(10-12(13,14)15)7-5-8-19-4-2/h3,16H,1,4-10H2,2H3
InChIKeyHQRYZDHBVVBATB-UHFFFAOYSA-N
XLogP1.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 54871747
N-prop-2-enyl-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide
CID 60567863
2-(3-ethoxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646803
N-prop-2-enyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
CID 60734457
2-amino-N-[2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
CID 60946902
N-propyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide
CID 60975241
N,N-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide
CID 61491006
N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide
CID 61491272
N-(3-ethoxypropyl)-2-(ethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 61812549
N-(3-ethoxypropyl)-2-(propylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 61812550
N-(3-ethoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914775
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78932029

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 79279417) is N-(3-ethoxypropyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide is C=CCNCC(=O)N(CCCOCC)CC(F)(F)F.
What is the InChIKey of N-(3-ethoxypropyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HQRYZDHBVVBATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-3-6-16-9-11(18)17(10-12(13,14)15)7-5-8-19-4-2/h3,16H,1,4-10H2,2H3.
What are the key properties of N-(3-ethoxypropyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide?
N-(3-ethoxypropyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 282.31 g/mol, XLogP of 1.58, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 79279417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).