2-[2,2-difluoroethyl(methyl)amino]-N-(oxolan-2-ylmethyl)propanamide

C11H20F2N2O2 — CID 75436465

IUPAC2-[2,2-difluoroethyl(methyl)amino]-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCC1CCCO1)N(C)CC(F)F
InChIInChI=1S/C11H20F2N2O2/c1-8(15(2)7-10(12)13)11(16)14-6-9-4-3-5-17-9/h8-10H,3-7H2,1-2H3,(H,14,16)
InChIKeyCXEBQDPENDICCZ-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.87
Rot. Bonds6

About 2-[2,2-difluoroethyl(methyl)amino]-N-(oxolan-2-ylmethyl)propanamide

2-[2,2-difluoroethyl(methyl)amino]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 75436465) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(methyl)amino]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(methyl)amino]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID75436465
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name2-[2,2-difluoroethyl(methyl)amino]-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCC1CCCO1)N(C)CC(F)F
InChIInChI=1S/C11H20F2N2O2/c1-8(15(2)7-10(12)13)11(16)14-6-9-4-3-5-17-9/h8-10H,3-7H2,1-2H3,(H,14,16)
InChIKeyCXEBQDPENDICCZ-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)propyl]-N'-(tetrahydrofuran-2-ylmethyl)ethanediamide
CID 3156710
N,N-dimethyl-2-(oxolan-2-ylmethylamino)acetamide
CID 3229579
N,N-Bis(1-methylethyl)-2-[[(tetrahydro-2-furanyl)methyl]amino]propanamide
CID 3229586
1-Methyl-3-(((tetrahydrofuran-2-yl)methyl)amino)pyrrolidin-2-one
CID 64266222
1-(2-Methylpiperidin-1-yl)-2-(oxolan-2-ylmethylamino)ethanone
CID 3229572
1-(2-Ethylpiperidin-1-yl)-2-(oxolan-2-ylmethylamino)ethanone
CID 3229573
N,N-diethyl-2-(oxolan-2-ylmethylcarbamoylamino)propanamide
CID 53625961
N-methyl-2-[1-(oxolan-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 75504703
2-amino-1-[(2S)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 70904969
2-[[2-[3-(Trifluoromethoxy)pyrrolidin-1-yl]acetyl]amino]propanamide
CID 176272224
(2R)-2-amino-1-[(2S,4R)-2-methyl-4-(trifluoromethoxy)pyrrolidin-1-yl]propan-1-one
CID 178126583
(2R)-2-amino-1-[(2S,4R)-2-methyl-4-(trifluoromethoxy)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 178126610

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(methyl)amino]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-[2,2-difluoroethyl(methyl)amino]-N-(oxolan-2-ylmethyl)propanamide (CID 75436465) is 2-[2,2-difluoroethyl(methyl)amino]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[2,2-difluoroethyl(methyl)amino]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[2,2-difluoroethyl(methyl)amino]-N-(oxolan-2-ylmethyl)propanamide is CC(C(=O)NCC1CCCO1)N(C)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(methyl)amino]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is CXEBQDPENDICCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-8(15(2)7-10(12)13)11(16)14-6-9-4-3-5-17-9/h8-10H,3-7H2,1-2H3,(H,14,16).
What are the key properties of 2-[2,2-difluoroethyl(methyl)amino]-N-(oxolan-2-ylmethyl)propanamide?
2-[2,2-difluoroethyl(methyl)amino]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 250.29 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(methyl)amino]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 75436465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).