(2S)-2-(4-fluorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide

C20H24FNO2 — CID 94013029

IUPAC(2S)-2-(4-fluorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
SMILESCC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H24FNO2/c1-14(2)13-19(16-7-5-4-6-8-16)22-20(23)15(3)24-18-11-9-17(21)10-12-18/h4-12,14-15,19H,13H2,1-3H3,(H,22,23)/t15-,19+/m0/s1
InChIKeyPQWLWFFFOAJEQR-HNAYVOBHSA-N
MW329.42 g/mol
LogP4.50
Rot. Bonds7

About (2S)-2-(4-fluorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide

(2S)-2-(4-fluorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide (PubChem CID 94013029) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
PubChem CID94013029
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name(2S)-2-(4-fluorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
SMILESCC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H24FNO2/c1-14(2)13-19(16-7-5-4-6-8-16)22-20(23)15(3)24-18-11-9-17(21)10-12-18/h4-12,14-15,19H,13H2,1-3H3,(H,22,23)/t15-,19+/m0/s1
InChIKeyPQWLWFFFOAJEQR-HNAYVOBHSA-N
XLogP4.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide
CID 41198910
(2R)-2-(4-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 92685363
(2R)-2-(4-fluorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]butanamide
CID 28580208
2-(4-fluorophenoxy)-N-(1-phenylethyl)propanamide
CID 21173393
(2R)-2-(3-methylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 92674586
(2S)-2-(3-chlorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]propanamide
CID 92679279
(2R)-2-(3-chlorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 92679276
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 92680978
2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92738396
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-2-yloxypropanamide
CID 94018574
N-[(1S)-3-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 9367485
2-(4-fluorophenoxy)-N-[1-(4-methylphenyl)propyl]propanamide
CID 17328401

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide?
The IUPAC name of (2S)-2-(4-fluorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide (CID 94013029) is (2S)-2-(4-fluorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide?
The canonical SMILES for (2S)-2-(4-fluorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide is CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (2S)-2-(4-fluorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide?
The InChIKey is PQWLWFFFOAJEQR-HNAYVOBHSA-N. The full InChI is InChI=1S/C20H24FNO2/c1-14(2)13-19(16-7-5-4-6-8-16)22-20(23)15(3)24-18-11-9-17(21)10-12-18/h4-12,14-15,19H,13H2,1-3H3,(H,22,23)/t15-,19+/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide?
(2S)-2-(4-fluorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide has a molecular weight of 329.42 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide is sourced from PubChem (CID 94013029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).