(2S)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]butanamide

C20H24FNO3 — CID 99132302

IUPAC(2S)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]butanamide
SMILESCC[C@H](Oc1ccccc1F)C(=O)N[C@@H](CC)c1ccc(OC)cc1
InChIInChI=1S/C20H24FNO3/c1-4-17(14-10-12-15(24-3)13-11-14)22-20(23)18(5-2)25-19-9-7-6-8-16(19)21/h6-13,17-18H,4-5H2,1-3H3,(H,22,23)/t17-,18-/m0/s1
InChIKeyOYPGXKKVBHOLPP-ROUUACIJSA-N
MW345.41 g/mol
LogP4.26
Rot. Bonds8

About (2S)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]butanamide

(2S)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]butanamide (PubChem CID 99132302) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]butanamide
PubChem CID99132302
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name(2S)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]butanamide
SMILESCC[C@H](Oc1ccccc1F)C(=O)N[C@@H](CC)c1ccc(OC)cc1
InChIInChI=1S/C20H24FNO3/c1-4-17(14-10-12-15(24-3)13-11-14)22-20(23)18(5-2)25-19-9-7-6-8-16(19)21/h6-13,17-18H,4-5H2,1-3H3,(H,22,23)/t17-,18-/m0/s1
InChIKeyOYPGXKKVBHOLPP-ROUUACIJSA-N
XLogP4.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99132381
2-(2-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide
CID 133191590
2-(2-fluorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
CID 133211113
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)butanamide
CID 92672147
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide
CID 92682628
(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99131462
(2R)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99132269
2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide
CID 17328056
N-[1-(4-methoxyphenyl)propyl]-2,2-diphenylacetamide
CID 55371775
2-(2-chlorophenoxy)-N-[1-(4-methylphenyl)propyl]butanamide
CID 17328424
(2S)-2-naphthalen-2-yloxy-N-[(1S)-1-phenylpropyl]butanamide
CID 28636082

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]butanamide?
The IUPAC name of (2S)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]butanamide (CID 99132302) is (2S)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]butanamide.
What is the SMILES notation for (2S)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]butanamide?
The canonical SMILES for (2S)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]butanamide is CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](CC)c1ccc(OC)cc1.
What is the InChIKey of (2S)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]butanamide?
The InChIKey is OYPGXKKVBHOLPP-ROUUACIJSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-4-17(14-10-12-15(24-3)13-11-14)22-20(23)18(5-2)25-19-9-7-6-8-16(19)21/h6-13,17-18H,4-5H2,1-3H3,(H,22,23)/t17-,18-/m0/s1.
What are the key properties of (2S)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]butanamide?
(2S)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]butanamide has a molecular weight of 345.41 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]butanamide is sourced from PubChem (CID 99132302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).