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

C11H20F2N2O2 — CID 164604021

IUPAC2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide
SMILESCNC(=O)C(N)COCC1CCC(F)(F)CC1
InChIInChI=1S/C11H20F2N2O2/c1-15-10(16)9(14)7-17-6-8-2-4-11(12,13)5-3-8/h8-9H,2-7,14H2,1H3,(H,15,16)
InChIKeyZKOFXIRKCWKCTD-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.90
Rot. Bonds5

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

2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide (PubChem CID 164604021) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide
PubChem CID164604021
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide
SMILESCNC(=O)C(N)COCC1CCC(F)(F)CC1
InChIInChI=1S/C11H20F2N2O2/c1-15-10(16)9(14)7-17-6-8-2-4-11(12,13)5-3-8/h8-9H,2-7,14H2,1H3,(H,15,16)
InChIKeyZKOFXIRKCWKCTD-UHFFFAOYSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide;ethane
CID 164604020
(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
(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?
The IUPAC name of 2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide (CID 164604021) is 2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide.
What is the SMILES notation for 2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide?
The canonical SMILES for 2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide is CNC(=O)C(N)COCC1CCC(F)(F)CC1.
What is the InChIKey of 2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide?
The InChIKey is ZKOFXIRKCWKCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-15-10(16)9(14)7-17-6-8-2-4-11(12,13)5-3-8/h8-9H,2-7,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide?
2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide has a molecular weight of 250.29 g/mol, XLogP of 0.90, 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 is sourced from PubChem (CID 164604021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).