2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide

C16H22F2N2O3 — CID 120791700

IUPAC2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NCc1cccc(OCC(F)F)c1)C1CCOCC1
InChIInChI=1S/C16H22F2N2O3/c17-14(18)10-23-13-3-1-2-11(8-13)9-20-16(21)15(19)12-4-6-22-7-5-12/h1-3,8,12,14-15H,4-7,9-10,19H2,(H,20,21)
InChIKeyFKVVYBPLEYBBGC-UHFFFAOYSA-N
MW328.36 g/mol
LogP1.70
Rot. Bonds7

About 2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide

2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide (PubChem CID 120791700) has the molecular formula C16H22F2N2O3 and a molecular weight of 328.36 g/mol. Its IUPAC name is 2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
PubChem CID120791700
Molecular FormulaC16H22F2N2O3
Molecular Weight328.36 g/mol
Exact Mass328.16
IUPAC Name2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NCc1cccc(OCC(F)F)c1)C1CCOCC1
InChIInChI=1S/C16H22F2N2O3/c17-14(18)10-23-13-3-1-2-11(8-13)9-20-16(21)15(19)12-4-6-22-7-5-12/h1-3,8,12,14-15H,4-7,9-10,19H2,(H,20,21)
InChIKeyFKVVYBPLEYBBGC-UHFFFAOYSA-N
XLogP1.70
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120789950
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789949
methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate
CID 120793432
methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate;hydrochloride
CID 120793431
2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799134
2-amino-N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785705
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-N-[[3-(dimethylamino)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120797734
(2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3,3-dimethylbutanamide
CID 119769412
2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 120786406
(2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119315356
2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]pentanamide
CID 119315367

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide (CID 120791700) is 2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide is NC(C(=O)NCc1cccc(OCC(F)F)c1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide?
The InChIKey is FKVVYBPLEYBBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O3/c17-14(18)10-23-13-3-1-2-11(8-13)9-20-16(21)15(19)12-4-6-22-7-5-12/h1-3,8,12,14-15H,4-7,9-10,19H2,(H,20,21).
What are the key properties of 2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide has a molecular weight of 328.36 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120791700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).