N-(3-ethoxypropyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide

C12H22F3NO3 — CID 112687246

IUPACN-(3-ethoxypropyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)COC(C)C
InChIInChI=1S/C12H22F3NO3/c1-4-18-7-5-6-16(9-12(13,14)15)11(17)8-19-10(2)3/h10H,4-9H2,1-3H3
InChIKeyWBMVQFQQONTQGQ-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.23
Rot. Bonds9

About N-(3-ethoxypropyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide

N-(3-ethoxypropyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 112687246) has the molecular formula C12H22F3NO3 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID112687246
Molecular FormulaC12H22F3NO3
Molecular Weight285.31 g/mol
Exact Mass285.16
IUPAC NameN-(3-ethoxypropyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)COC(C)C
InChIInChI=1S/C12H22F3NO3/c1-4-18-7-5-6-16(9-12(13,14)15)11(17)8-19-10(2)3/h10H,4-9H2,1-3H3
InChIKeyWBMVQFQQONTQGQ-UHFFFAOYSA-N
XLogP2.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 112687242
N-(3-ethoxypropyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 79204341
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide
CID 60766142
N-butyl-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide
CID 113227401
2-(aminomethyl)-N-(3-ethoxypropyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 115432120
3-amino-N-(3-ethoxypropyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 65269422
(2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)hexanamide
CID 107144494
2-(1-aminocyclobutyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 79854442
2-amino-N-(3-ethoxypropyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 62474145
2-(aminomethyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide
CID 65227540
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
CID 61355207
2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258337

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide (CID 112687246) is N-(3-ethoxypropyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide is CCOCCCN(CC(F)(F)F)C(=O)COC(C)C.
What is the InChIKey of N-(3-ethoxypropyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WBMVQFQQONTQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO3/c1-4-18-7-5-6-16(9-12(13,14)15)11(17)8-19-10(2)3/h10H,4-9H2,1-3H3.
What are the key properties of N-(3-ethoxypropyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide?
N-(3-ethoxypropyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 285.31 g/mol, XLogP of 2.23, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 112687246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).