2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide;ethane

C13H26F2N2O2 — CID 164604020

IUPAC2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide;ethane
SMILESCC.CNC(=O)C(N)COCC1CCC(F)(F)CC1
InChIInChI=1S/C11H20F2N2O2.C2H6/c1-15-10(16)9(14)7-17-6-8-2-4-11(12,13)5-3-8;1-2/h8-9H,2-7,14H2,1H3,(H,15,16);1-2H3
InChIKeyILAABDVLOQPDIG-UHFFFAOYSA-N
MW280.36 g/mol
LogP1.93
Rot. Bonds5

About 2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide;ethane

2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide;ethane (PubChem CID 164604020) has the molecular formula C13H26F2N2O2 and a molecular weight of 280.36 g/mol. Its IUPAC name is 2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide;ethane.

Molecular Properties

Compound Name2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide;ethane
PubChem CID164604020
Molecular FormulaC13H26F2N2O2
Molecular Weight280.36 g/mol
Exact Mass280.20
IUPAC Name2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide;ethane
SMILESCC.CNC(=O)C(N)COCC1CCC(F)(F)CC1
InChIInChI=1S/C11H20F2N2O2.C2H6/c1-15-10(16)9(14)7-17-6-8-2-4-11(12,13)5-3-8;1-2/h8-9H,2-7,14H2,1H3,(H,15,16);1-2H3
InChIKeyILAABDVLOQPDIG-UHFFFAOYSA-N
XLogP1.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]propanamide
CID 164604399
(2S,3R)-2-amino-N-methyl-3-[[4-(trifluoromethyl)cyclohexyl]methoxy]butanamide
CID 164604591
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylbutanamide
CID 171593892
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]butanamide
CID 171594257
2-amino-3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 81083095
2-amino-3-methoxy-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 81083393
2-amino-3-methoxy-N-[2-(trifluoromethyl)cyclohexyl]propanamide
CID 81083618
2-amino-3-methoxy-N-[[4-(trifluoromethyl)cyclohexyl]methyl]propanamide
CID 120991506
2-amino-N-(1-cyclohexyl-2,2,2-trifluoroethyl)-3-methoxypropanamide
CID 121749280
2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide
CID 164604021
(2S,3S)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide
CID 164604443
(2S,3R)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide
CID 164604619

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide;ethane?
The IUPAC name of 2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide;ethane (CID 164604020) is 2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide;ethane.
What is the SMILES notation for 2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide;ethane?
The canonical SMILES for 2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide;ethane is CC.CNC(=O)C(N)COCC1CCC(F)(F)CC1.
What is the InChIKey of 2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide;ethane?
The InChIKey is ILAABDVLOQPDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2.C2H6/c1-15-10(16)9(14)7-17-6-8-2-4-11(12,13)5-3-8;1-2/h8-9H,2-7,14H2,1H3,(H,15,16);1-2H3.
What are the key properties of 2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide;ethane?
2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide;ethane has a molecular weight of 280.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide;ethane is sourced from PubChem (CID 164604020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).