2-amino-N-(3-ethoxypropyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide

C12H23F3N2O3 — CID 62474145

IUPAC2-amino-N-(3-ethoxypropyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C(N)CCOC
InChIInChI=1S/C12H23F3N2O3/c1-3-20-7-4-6-17(9-12(13,14)15)11(18)10(16)5-8-19-2/h10H,3-9,16H2,1-2H3
InChIKeyKPHLHWOJDWAAFD-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.17
Rot. Bonds10

About 2-amino-N-(3-ethoxypropyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide

2-amino-N-(3-ethoxypropyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 62474145) has the molecular formula C12H23F3N2O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-amino-N-(3-ethoxypropyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(3-ethoxypropyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID62474145
Molecular FormulaC12H23F3N2O3
Molecular Weight300.32 g/mol
Exact Mass300.17
IUPAC Name2-amino-N-(3-ethoxypropyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C(N)CCOC
InChIInChI=1S/C12H23F3N2O3/c1-3-20-7-4-6-17(9-12(13,14)15)11(18)10(16)5-8-19-2/h10H,3-9,16H2,1-2H3
InChIKeyKPHLHWOJDWAAFD-UHFFFAOYSA-N
XLogP1.17
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)hexanamide
CID 107144494
2-(aminomethyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide
CID 65227540
N-(3-ethoxypropyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 79204341
2-amino-4-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 62474315
2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methoxypentanamide
CID 81088565
3-amino-N-(3-ethoxypropyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 65269422
2-(aminomethyl)-N-(3-ethoxypropyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 115432120
N-(3-ethoxypropyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 112687246
(2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79024297
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide
CID 60766142
2-(1-aminocyclobutyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 79854442
2-amino-N-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide
CID 62473961

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethoxypropyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-amino-N-(3-ethoxypropyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide (CID 62474145) is 2-amino-N-(3-ethoxypropyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-amino-N-(3-ethoxypropyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-amino-N-(3-ethoxypropyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide is CCOCCCN(CC(F)(F)F)C(=O)C(N)CCOC.
What is the InChIKey of 2-amino-N-(3-ethoxypropyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is KPHLHWOJDWAAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O3/c1-3-20-7-4-6-17(9-12(13,14)15)11(18)10(16)5-8-19-2/h10H,3-9,16H2,1-2H3.
What are the key properties of 2-amino-N-(3-ethoxypropyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
2-amino-N-(3-ethoxypropyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 300.32 g/mol, XLogP of 1.17, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethoxypropyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 62474145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).