(2S)-2-(4-fluorophenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide

C15H20FNO3 — CID 51599869

IUPAC(2S)-2-(4-fluorophenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)N(C)CC1(C)COC1
InChIInChI=1S/C15H20FNO3/c1-11(20-13-6-4-12(16)5-7-13)14(18)17(3)8-15(2)9-19-10-15/h4-7,11H,8-10H2,1-3H3/t11-/m0/s1
InChIKeyBXUQVFZOCNTZDQ-NSHDSACASA-N
MW281.33 g/mol
LogP2.09
Rot. Bonds5

About (2S)-2-(4-fluorophenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide

(2S)-2-(4-fluorophenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide (PubChem CID 51599869) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide
PubChem CID51599869
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name(2S)-2-(4-fluorophenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)N(C)CC1(C)COC1
InChIInChI=1S/C15H20FNO3/c1-11(20-13-6-4-12(16)5-7-13)14(18)17(3)8-15(2)9-19-10-15/h4-7,11H,8-10H2,1-3H3/t11-/m0/s1
InChIKeyBXUQVFZOCNTZDQ-NSHDSACASA-N
XLogP2.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 42560933
N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide
CID 78770345
N-[(4-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide
CID 47042167
(2S)-2-(4-fluorophenoxy)-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylpropanamide
CID 98771935
(2R)-2-(4-fluorophenoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylpropanamide
CID 124536446
(2S)-2-(4-fluorophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 26729871
5-[[2-(4-fluorophenoxy)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221714
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide
CID 31147863
2-(4-fluorophenoxy)propanoic acid
CID 3872140
(2S)-2-(4-fluorophenoxy)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpropanamide
CID 94777102
2-[2-(3,4-difluorophenoxy)propanoyl-methylamino]acetic acid
CID 119171905
N-ethyl-2-(4-hydroxyphenoxy)-N-methylpropanamide
CID 166611028

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide?
The IUPAC name of (2S)-2-(4-fluorophenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide (CID 51599869) is (2S)-2-(4-fluorophenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-(4-fluorophenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide is C[C@H](Oc1ccc(F)cc1)C(=O)N(C)CC1(C)COC1.
What is the InChIKey of (2S)-2-(4-fluorophenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide?
The InChIKey is BXUQVFZOCNTZDQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H20FNO3/c1-11(20-13-6-4-12(16)5-7-13)14(18)17(3)8-15(2)9-19-10-15/h4-7,11H,8-10H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide?
(2S)-2-(4-fluorophenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide has a molecular weight of 281.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide is sourced from PubChem (CID 51599869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).