N-[2-amino-1-(2,2-dimethylcyclopropyl)-2-oxoethyl]-N,2,3,3-tetramethylbutanamide;1,1,1-trifluoropropan-2-one

C18H31F3N2O3 — CID 170631542

IUPACN-[2-amino-1-(2,2-dimethylcyclopropyl)-2-oxoethyl]-N,2,3,3-tetramethylbutanamide;1,1,1-trifluoropropan-2-one
SMILESCC(=O)C(F)(F)F.CC(C(=O)N(C)C(C(N)=O)C1CC1(C)C)C(C)(C)C
InChIInChI=1S/C15H28N2O2.C3H3F3O/c1-9(14(2,3)4)13(19)17(7)11(12(16)18)10-8-15(10,5)6;1-2(7)3(4,5)6/h9-11H,8H2,1-7H3,(H2,16,18);1H3
InChIKeyXKQHSUQFZMNXJA-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.16
Rot. Bonds4

About N-[2-amino-1-(2,2-dimethylcyclopropyl)-2-oxoethyl]-N,2,3,3-tetramethylbutanamide;1,1,1-trifluoropropan-2-one

N-[2-amino-1-(2,2-dimethylcyclopropyl)-2-oxoethyl]-N,2,3,3-tetramethylbutanamide;1,1,1-trifluoropropan-2-one (PubChem CID 170631542) has the molecular formula C18H31F3N2O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[2-amino-1-(2,2-dimethylcyclopropyl)-2-oxoethyl]-N,2,3,3-tetramethylbutanamide;1,1,1-trifluoropropan-2-one.

Molecular Properties

Compound NameN-[2-amino-1-(2,2-dimethylcyclopropyl)-2-oxoethyl]-N,2,3,3-tetramethylbutanamide;1,1,1-trifluoropropan-2-one
PubChem CID170631542
Molecular FormulaC18H31F3N2O3
Molecular Weight380.45 g/mol
Exact Mass380.23
IUPAC NameN-[2-amino-1-(2,2-dimethylcyclopropyl)-2-oxoethyl]-N,2,3,3-tetramethylbutanamide;1,1,1-trifluoropropan-2-one
SMILESCC(=O)C(F)(F)F.CC(C(=O)N(C)C(C(N)=O)C1CC1(C)C)C(C)(C)C
InChIInChI=1S/C15H28N2O2.C3H3F3O/c1-9(14(2,3)4)13(19)17(7)11(12(16)18)10-8-15(10,5)6;1-2(7)3(4,5)6/h9-11H,8H2,1-7H3,(H2,16,18);1H3
InChIKeyXKQHSUQFZMNXJA-UHFFFAOYSA-N
XLogP3.16
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-1-oxobutan-2-yl)-N,2,3,3-tetramethylbutanamide
CID 123689568
(2R)-2,3,3-trimethylbutanamide
CID 11579125
(2R)-2,3,3-trimethylbutanamide;(2S)-2,3,3-trimethylbutanamide
CID 143175420
N-[1-(2,2-dimethylcyclopropyl)ethyl]-2,2,2-trifluoroacetamide
CID 130971950
guanidine;1,1,1-trifluoropropan-2-one
CID 161240070
2-amino-N-[1-(2,2-dimethylcyclopropyl)ethyl]-2-methylpropanamide
CID 131002161
methanol;1,1,1-trifluoropropan-2-one
CID 143449036
N-[2-(carbamoylamino)ethyl]-N,2,3,3-tetramethylbutanamide
CID 143855436
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(2-methoxypropan-2-yl)-N-methylazetidine-1-carboxamide
CID 166145070
methane;(2S)-1,1,1-trifluoropropan-2-ol;1,1,1-trifluoropropan-2-one
CID 157447507
N,3,3-trimethyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 130725801
[methyl(2,3,3-trimethylbutanoyloxy)amino] 2,3,3-trimethylbutanoate
CID 123135707

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(2,2-dimethylcyclopropyl)-2-oxoethyl]-N,2,3,3-tetramethylbutanamide;1,1,1-trifluoropropan-2-one?
The IUPAC name of N-[2-amino-1-(2,2-dimethylcyclopropyl)-2-oxoethyl]-N,2,3,3-tetramethylbutanamide;1,1,1-trifluoropropan-2-one (CID 170631542) is N-[2-amino-1-(2,2-dimethylcyclopropyl)-2-oxoethyl]-N,2,3,3-tetramethylbutanamide;1,1,1-trifluoropropan-2-one.
What is the SMILES notation for N-[2-amino-1-(2,2-dimethylcyclopropyl)-2-oxoethyl]-N,2,3,3-tetramethylbutanamide;1,1,1-trifluoropropan-2-one?
The canonical SMILES for N-[2-amino-1-(2,2-dimethylcyclopropyl)-2-oxoethyl]-N,2,3,3-tetramethylbutanamide;1,1,1-trifluoropropan-2-one is CC(=O)C(F)(F)F.CC(C(=O)N(C)C(C(N)=O)C1CC1(C)C)C(C)(C)C.
What is the InChIKey of N-[2-amino-1-(2,2-dimethylcyclopropyl)-2-oxoethyl]-N,2,3,3-tetramethylbutanamide;1,1,1-trifluoropropan-2-one?
The InChIKey is XKQHSUQFZMNXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2.C3H3F3O/c1-9(14(2,3)4)13(19)17(7)11(12(16)18)10-8-15(10,5)6;1-2(7)3(4,5)6/h9-11H,8H2,1-7H3,(H2,16,18);1H3.
What are the key properties of N-[2-amino-1-(2,2-dimethylcyclopropyl)-2-oxoethyl]-N,2,3,3-tetramethylbutanamide;1,1,1-trifluoropropan-2-one?
N-[2-amino-1-(2,2-dimethylcyclopropyl)-2-oxoethyl]-N,2,3,3-tetramethylbutanamide;1,1,1-trifluoropropan-2-one has a molecular weight of 380.45 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(2,2-dimethylcyclopropyl)-2-oxoethyl]-N,2,3,3-tetramethylbutanamide;1,1,1-trifluoropropan-2-one is sourced from PubChem (CID 170631542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).