2-[1-(aminomethyl)cyclobutyl]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide

C14H19F3N2O2 — CID 81171860

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCC1(CC(=O)N(Cc2ccco2)CC(F)(F)F)CCC1
InChIInChI=1S/C14H19F3N2O2/c15-14(16,17)10-19(8-11-3-1-6-21-11)12(20)7-13(9-18)4-2-5-13/h1,3,6H,2,4-5,7-10,18H2
InChIKeyHBLPVFGSYJXSMR-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.69
Rot. Bonds6

About 2-[1-(aminomethyl)cyclobutyl]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 81171860) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID81171860
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCC1(CC(=O)N(Cc2ccco2)CC(F)(F)F)CCC1
InChIInChI=1S/C14H19F3N2O2/c15-14(16,17)10-19(8-11-3-1-6-21-11)12(20)7-13(9-18)4-2-5-13/h1,3,6H,2,4-5,7-10,18H2
InChIKeyHBLPVFGSYJXSMR-UHFFFAOYSA-N
XLogP2.69
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
CID 60937580
2-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
CID 61328447
2-amino-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 79793559
N-(furan-2-ylmethyl)-2-(1,3-thiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 60528483
N-(furan-2-ylmethyl)-2-[methyl(naphthalen-1-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60572800
N-(furan-2-ylmethyl)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 60519726
3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62728690
N-(furan-2-ylmethyl)-3-(3-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 134032635
4-amino-5-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
CID 64890856
1-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylcyclobutane-1-carboxamide
CID 80587658
2-(4-benzylphenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 60611370
1-[2-[ethyl(furan-2-ylmethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60948920

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 81171860) is 2-[1-(aminomethyl)cyclobutyl]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide is NCC1(CC(=O)N(Cc2ccco2)CC(F)(F)F)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HBLPVFGSYJXSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c15-14(16,17)10-19(8-11-3-1-6-21-11)12(20)7-13(9-18)4-2-5-13/h1,3,6H,2,4-5,7-10,18H2.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 304.31 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 81171860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).