4-amino-3-methoxy-N-(4,4,4-trifluorobutyl)butanamide

C9H17F3N2O2 — CID 103156466

IUPAC4-amino-3-methoxy-N-(4,4,4-trifluorobutyl)butanamide
SMILESCOC(CN)CC(=O)NCCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-16-7(6-13)5-8(15)14-4-2-3-9(10,11)12/h7H,2-6,13H2,1H3,(H,14,15)
InChIKeyFUNPDSRVRHNJNP-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.81
Rot. Bonds7

About 4-amino-3-methoxy-N-(4,4,4-trifluorobutyl)butanamide

4-amino-3-methoxy-N-(4,4,4-trifluorobutyl)butanamide (PubChem CID 103156466) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(4,4,4-trifluorobutyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(4,4,4-trifluorobutyl)butanamide
PubChem CID103156466
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name4-amino-3-methoxy-N-(4,4,4-trifluorobutyl)butanamide
SMILESCOC(CN)CC(=O)NCCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-16-7(6-13)5-8(15)14-4-2-3-9(10,11)12/h7H,2-6,13H2,1H3,(H,14,15)
InChIKeyFUNPDSRVRHNJNP-UHFFFAOYSA-N
XLogP0.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-(ethylamino)ethoxy]-2-fluorobutyl]propanamide
CID 170061761
2-acetamido-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide;ethane
CID 170755651
N-(3-ethoxypropyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide
CID 54871773
4-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide
CID 63826883
N-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanamide
CID 63891849
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(4,4,4-trifluorobutyl)butanamide?
The IUPAC name of 4-amino-3-methoxy-N-(4,4,4-trifluorobutyl)butanamide (CID 103156466) is 4-amino-3-methoxy-N-(4,4,4-trifluorobutyl)butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(4,4,4-trifluorobutyl)butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-(4,4,4-trifluorobutyl)butanamide is COC(CN)CC(=O)NCCCC(F)(F)F.
What is the InChIKey of 4-amino-3-methoxy-N-(4,4,4-trifluorobutyl)butanamide?
The InChIKey is FUNPDSRVRHNJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-16-7(6-13)5-8(15)14-4-2-3-9(10,11)12/h7H,2-6,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-3-methoxy-N-(4,4,4-trifluorobutyl)butanamide?
4-amino-3-methoxy-N-(4,4,4-trifluorobutyl)butanamide has a molecular weight of 242.24 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(4,4,4-trifluorobutyl)butanamide is sourced from PubChem (CID 103156466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).