2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide

C11H15F3N2O2 — CID 79805199

IUPAC2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide
SMILESCc1occc1CN(C)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C11H15F3N2O2/c1-7-8(4-5-18-7)6-16(3)9(17)10(2,15)11(12,13)14/h4-5H,6,15H2,1-3H3
InChIKeyZKEHMTXQQYLSIC-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.83
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide

2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide (PubChem CID 79805199) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide
PubChem CID79805199
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide
SMILESCc1occc1CN(C)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C11H15F3N2O2/c1-7-8(4-5-18-7)6-16(3)9(17)10(2,15)11(12,13)14/h4-5H,6,15H2,1-3H3
InChIKeyZKEHMTXQQYLSIC-UHFFFAOYSA-N
XLogP1.83
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]butanamide
CID 113270027
2-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide
CID 61426214
7-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]heptanamide
CID 61426506
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61370638
2-bromo-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]butanamide
CID 61426211
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
2-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-oxoethoxy]acetic acid
CID 61426198
ethyl 2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]acetate
CID 47377436
(E)-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]-4-oxobut-2-enoic acid
CID 82238971
2,2-dimethyl-3-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 64834672
2-[2-(aminomethyl)phenyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
CID 81322313
2-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]amino]butan-2-ol
CID 114495435

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide (CID 79805199) is 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide is Cc1occc1CN(C)C(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide?
The InChIKey is ZKEHMTXQQYLSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-7-8(4-5-18-7)6-16(3)9(17)10(2,15)11(12,13)14/h4-5H,6,15H2,1-3H3.
What are the key properties of 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide?
2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide has a molecular weight of 264.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide is sourced from PubChem (CID 79805199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).