2-[(1-ethylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

C12H21F3N2O — CID 103740900

IUPAC2-[(1-ethylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC1(CNC(C)C(=O)NCC(F)(F)F)CCC1
InChIInChI=1S/C12H21F3N2O/c1-3-11(5-4-6-11)7-16-9(2)10(18)17-8-12(13,14)15/h9,16H,3-8H2,1-2H3,(H,17,18)
InChIKeyRRFGHTAQIWQFNB-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.22
Rot. Bonds6

About 2-[(1-ethylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(1-ethylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 103740900) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-[(1-ethylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(1-ethylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID103740900
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name2-[(1-ethylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC1(CNC(C)C(=O)NCC(F)(F)F)CCC1
InChIInChI=1S/C12H21F3N2O/c1-3-11(5-4-6-11)7-16-9(2)10(18)17-8-12(13,14)15/h9,16H,3-8H2,1-2H3,(H,17,18)
InChIKeyRRFGHTAQIWQFNB-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-N-propyl-2-(2,2,2-trifluoroacetamido)butanamide
CID 172907243
N-cyclohexyl-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)-butanamide
CID 172907277
3,3-dimethyl-N-octyl-2-(2,2,2-trifluoroacetamido)butanamide
CID 172907302
(2S)-2-[cyclobutylmethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97237697
N-butan-2-yl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide
CID 121515902
1-[(8R)-8-amino-6-azaspiro[3.4]octan-6-yl]-3,3,3-trifluoro-2,2-dimethylpropan-1-one
CID 164642799
(2R)-4,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]pentanamide
CID 59461057
N-(3-ethyl-3-methylheptan-2-yl)-3,3,3-trifluoropropanamide
CID 137535858
2-[(1-Tert-butyl-3,3-difluorocyclobutyl)amino]acetamide
CID 140911440
N,3,3-trimethyl-2-(3,3,3-trifluoropropanoylamino)butanamide
CID 145466442
3,3-difluoro-N-methyl-1-(propan-2-ylamino)cyclobutane-1-carboxamide
CID 146476366
(2S)-2-amino-3-methyl-N-[4-(trifluoromethyl)-2-bicyclo[2.2.0]hexanyl]butanamide
CID 155073791

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(1-ethylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 103740900) is 2-[(1-ethylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(1-ethylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(1-ethylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is CCC1(CNC(C)C(=O)NCC(F)(F)F)CCC1.
What is the InChIKey of 2-[(1-ethylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is RRFGHTAQIWQFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-3-11(5-4-6-11)7-16-9(2)10(18)17-8-12(13,14)15/h9,16H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[(1-ethylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(1-ethylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 266.31 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 103740900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).