4-amino-3-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)butanamide

C9H17F3N2O2 — CID 103156083

IUPAC4-amino-3-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)butanamide
SMILESCOC(CN)CC(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-14(4-3-9(10,11)12)8(15)5-7(6-13)16-2/h7H,3-6,13H2,1-2H3
InChIKeyLRGUHHGUEOBIFI-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.76
Rot. Bonds6

About 4-amino-3-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)butanamide

4-amino-3-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)butanamide (PubChem CID 103156083) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)butanamide
PubChem CID103156083
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name4-amino-3-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)butanamide
SMILESCOC(CN)CC(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-14(4-3-9(10,11)12)8(15)5-7(6-13)16-2/h7H,3-6,13H2,1-2H3
InChIKeyLRGUHHGUEOBIFI-UHFFFAOYSA-N
XLogP0.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 54871746
N-(3-ethoxypropyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide
CID 54871773
N-(3-aminopropyl)-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide
CID 65712093
N-(3-aminopropyl)-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66275856
N-(3-ethoxypropyl)-2-morpholin-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 66426364
N-(2-methylpropyl)-2-morpholin-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 66426366
2-morpholin-2-yl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 66426577
N-methyl-2-morpholin-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 66426770
2-morpholin-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 66427270
2-morpholin-2-yl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 66427436
N-ethyl-2-morpholin-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 66427676
N-methyl-2-morpholin-2-yl-N-(3,3,3-trifluoropropyl)acetamide
CID 66427705

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)butanamide?
The IUPAC name of 4-amino-3-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)butanamide (CID 103156083) is 4-amino-3-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)butanamide is COC(CN)CC(=O)N(C)CCC(F)(F)F.
What is the InChIKey of 4-amino-3-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)butanamide?
The InChIKey is LRGUHHGUEOBIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-14(4-3-9(10,11)12)8(15)5-7(6-13)16-2/h7H,3-6,13H2,1-2H3.
What are the key properties of 4-amino-3-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)butanamide?
4-amino-3-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)butanamide has a molecular weight of 242.24 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)butanamide is sourced from PubChem (CID 103156083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).