1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclobutane-1-carboxamide

C10H16F3N3O2 — CID 81172740

IUPAC1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclobutane-1-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C1(N)CCC1
InChIInChI=1S/C10H16F3N3O2/c1-16(8(18)9(14)3-2-4-9)5-7(17)15-6-10(11,12)13/h2-6,14H2,1H3,(H,15,17)
InChIKeyJVQMNAYARHYPCZ-UHFFFAOYSA-N
MW267.25 g/mol
LogP0.00
Rot. Bonds4

About 1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclobutane-1-carboxamide

1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclobutane-1-carboxamide (PubChem CID 81172740) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclobutane-1-carboxamide
PubChem CID81172740
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC Name1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclobutane-1-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C1(N)CCC1
InChIInChI=1S/C10H16F3N3O2/c1-16(8(18)9(14)3-2-4-9)5-7(17)15-6-10(11,12)13/h2-6,14H2,1H3,(H,15,17)
InChIKeyJVQMNAYARHYPCZ-UHFFFAOYSA-N
XLogP0.00
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 60946592
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1-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxamide
CID 119297008
3-amino-4-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]-4-oxobutanoic acid
CID 64894367
N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide
CID 60783712
1-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119291003
2-methyl-3-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]-3-oxopropanoic acid
CID 114897590
2,4-diamino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 61107945
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CID 62009544
1-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopentane-1-carboxamide
CID 119291391
2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
CID 81082824
2-amino-5-hydroxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 107074540

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclobutane-1-carboxamide (CID 81172740) is 1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclobutane-1-carboxamide is CN(CC(=O)NCC(F)(F)F)C(=O)C1(N)CCC1.
What is the InChIKey of 1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclobutane-1-carboxamide?
The InChIKey is JVQMNAYARHYPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c1-16(8(18)9(14)3-2-4-9)5-7(17)15-6-10(11,12)13/h2-6,14H2,1H3,(H,15,17).
What are the key properties of 1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclobutane-1-carboxamide?
1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclobutane-1-carboxamide has a molecular weight of 267.25 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81172740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).