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

C10H17F3N2O2 — CID 120590194

IUPAC4-amino-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESC=CCN(CC(F)(F)F)C(=O)CC(CN)OC
InChIInChI=1S/C10H17F3N2O2/c1-3-4-15(7-10(11,12)13)9(16)5-8(6-14)17-2/h3,8H,1,4-7,14H2,2H3
InChIKeyRNZDAWIOVRMBST-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.93
Rot. Bonds7

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

4-amino-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 120590194) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID120590194
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name4-amino-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESC=CCN(CC(F)(F)F)C(=O)CC(CN)OC
InChIInChI=1S/C10H17F3N2O2/c1-3-4-15(7-10(11,12)13)9(16)5-8(6-14)17-2/h3,8H,1,4-7,14H2,2H3
InChIKeyRNZDAWIOVRMBST-UHFFFAOYSA-N
XLogP0.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 103154875
4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103155146
4-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103155157
4-amino-N-ethyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103155675
4-amino-3-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)butanamide
CID 103156083
4-amino-3-methoxy-N-(4,4,4-trifluorobutyl)butanamide
CID 103156466
4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-methylbutanamide
CID 103156737
4-amino-3-methoxy-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
CID 113781759
4-amino-3-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 113781762
4-amino-3-methoxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 113781763
4-amino-3-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 113782018
4-amino-3-ethoxy-N-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 114227403

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-amino-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)butanamide (CID 120590194) is 4-amino-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)butanamide is C=CCN(CC(F)(F)F)C(=O)CC(CN)OC.
What is the InChIKey of 4-amino-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is RNZDAWIOVRMBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-3-4-15(7-10(11,12)13)9(16)5-8(6-14)17-2/h3,8H,1,4-7,14H2,2H3.
What are the key properties of 4-amino-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)butanamide?
4-amino-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 254.25 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 120590194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).