2-amino-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide

C9H17F3N2O3 — CID 55261271

IUPAC2-amino-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide
SMILESCOCCC(N)C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C9H17F3N2O3/c1-16-4-2-7(13)8(15)14-3-5-17-6-9(10,11)12/h7H,2-6,13H2,1H3,(H,14,15)
InChIKeyGKVUZYKHCRUTOK-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.05
Rot. Bonds8

About 2-amino-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide

2-amino-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide (PubChem CID 55261271) has the molecular formula C9H17F3N2O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide
PubChem CID55261271
Molecular FormulaC9H17F3N2O3
Molecular Weight258.24 g/mol
Exact Mass258.12
IUPAC Name2-amino-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide
SMILESCOCCC(N)C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C9H17F3N2O3/c1-16-4-2-7(13)8(15)14-3-5-17-6-9(10,11)12/h7H,2-6,13H2,1H3,(H,14,15)
InChIKeyGKVUZYKHCRUTOK-UHFFFAOYSA-N
XLogP0.05
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.05
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

O-TFE-N-TFA-aspartylglycine ethyl ester
CID 587577
N-(trifluoromethyl)-1-oxa-5,8-diazacyclododec-10-yne-4-carboxamide
CID 87444079
2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide
CID 164605014
4-[3-(ethylamino)propoxy]-N-(1,1,1-trifluoropropan-2-yl)butanamide
CID 169664689
2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide;ethane
CID 170755651
N-(2-methoxyethyl)-2-(2,2,2-trifluoroethylamino)propanamide
CID 43089172
N-(2-morpholin-4-ylethyl)-4-(2,2,2-trifluoroethoxy)butanamide
CID 45833363
2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 54871760
N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide
CID 54961714
N-pentyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
CID 55031815
N-pentan-3-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
CID 55031816
N,N-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
CID 55031854

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide?
The IUPAC name of 2-amino-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide (CID 55261271) is 2-amino-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide is COCCC(N)C(=O)NCCOCC(F)(F)F.
What is the InChIKey of 2-amino-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide?
The InChIKey is GKVUZYKHCRUTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O3/c1-16-4-2-7(13)8(15)14-3-5-17-6-9(10,11)12/h7H,2-6,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide?
2-amino-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide has a molecular weight of 258.24 g/mol, XLogP of 0.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide is sourced from PubChem (CID 55261271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).