4-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide

C10H17F3N2O2 — CID 103155676

IUPAC4-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESCOC(CN)CC(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H17F3N2O2/c1-17-8(5-14)4-9(16)15(7-2-3-7)6-10(11,12)13/h7-8H,2-6,14H2,1H3
InChIKeyIXFNKOYPBMBJIV-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.90
Rot. Bonds6

About 4-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide

4-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 103155676) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID103155676
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name4-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESCOC(CN)CC(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H17F3N2O2/c1-17-8(5-14)4-9(16)15(7-2-3-7)6-10(11,12)13/h7-8H,2-6,14H2,1H3
InChIKeyIXFNKOYPBMBJIV-UHFFFAOYSA-N
XLogP0.90
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-3-methoxypropyl)-4,4,4-trifluoro-N-methylbutanamide
CID 65713021
2-morpholin-2-yl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 66426577
N-(1-cyclopropylethyl)-2-morpholin-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 66427429
2-morpholin-2-yl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 66427436
N-cyclopropyl-2-morpholin-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 66427677
N-cyclopropyl-4-[2-(trifluoromethoxy)ethylamino]butanamide
CID 79394298
2-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 81082970
2-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 81088642
4-amino-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103154227
4-amino-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 103154875
4-amino-N-(1-cyclopropylethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103155071
4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103155146

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide (CID 103155676) is 4-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide is COC(CN)CC(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 4-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is IXFNKOYPBMBJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-17-8(5-14)4-9(16)15(7-2-3-7)6-10(11,12)13/h7-8H,2-6,14H2,1H3.
What are the key properties of 4-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
4-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 254.25 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 103155676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).