4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybutanamide

C9H18F2N2O3 — CID 107479306

IUPAC4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H18F2N2O3/c1-16-7(5-12)4-9(15)13(2-3-14)6-8(10)11/h7-8,14H,2-6,12H2,1H3
InChIKeyNRURDKVSJJXBNH-UHFFFAOYSA-N
MW240.25 g/mol
LogP-0.56
Rot. Bonds8

About 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybutanamide

4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybutanamide (PubChem CID 107479306) has the molecular formula C9H18F2N2O3 and a molecular weight of 240.25 g/mol. Its IUPAC name is 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybutanamide
PubChem CID107479306
Molecular FormulaC9H18F2N2O3
Molecular Weight240.25 g/mol
Exact Mass240.13
IUPAC Name4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H18F2N2O3/c1-16-7(5-12)4-9(15)13(2-3-14)6-8(10)11/h7-8,14H,2-6,12H2,1H3
InChIKeyNRURDKVSJJXBNH-UHFFFAOYSA-N
XLogP-0.56
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-3-hydroxy-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide
CID 134199911
4-amino-2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)butanamide
CID 134200015
4-amino-2,2-difluoro-N-(2-fluoroethyl)-3-hydroxybutanamide
CID 156300664
N-(2-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43418185
N-(2-hydroxyethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide
CID 60953849
N-(3-ethoxypropyl)-2-morpholin-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 66426364
N-methyl-2-morpholin-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 66426770
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
N-butyl-2-morpholin-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 66428706
2-morpholin-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 66428916
N-(2-hydroxyethyl)-2-morpholin-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 66429348

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybutanamide (CID 107479306) is 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybutanamide is COC(CN)CC(=O)N(CCO)CC(F)F.
What is the InChIKey of 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybutanamide?
The InChIKey is NRURDKVSJJXBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O3/c1-16-7(5-12)4-9(15)13(2-3-14)6-8(10)11/h7-8,14H,2-6,12H2,1H3.
What are the key properties of 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybutanamide?
4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybutanamide has a molecular weight of 240.25 g/mol, XLogP of -0.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybutanamide is sourced from PubChem (CID 107479306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).