(2R)-2-(4-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide

C21H26FNO3 — CID 92685363

IUPAC(2R)-2-(4-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
SMILESCOc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C21H26FNO3/c1-14(2)13-20(16-5-9-18(25-4)10-6-16)23-21(24)15(3)26-19-11-7-17(22)8-12-19/h5-12,14-15,20H,13H2,1-4H3,(H,23,24)/t15-,20+/m1/s1
InChIKeyHGISONGIEJUGMS-QRWLVFNGSA-N
MW359.44 g/mol
LogP4.51
Rot. Bonds8

About (2R)-2-(4-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide

(2R)-2-(4-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide (PubChem CID 92685363) has the molecular formula C21H26FNO3 and a molecular weight of 359.44 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
PubChem CID92685363
Molecular FormulaC21H26FNO3
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name(2R)-2-(4-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
SMILESCOc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C21H26FNO3/c1-14(2)13-20(16-5-9-18(25-4)10-6-16)23-21(24)15(3)26-19-11-7-17(22)8-12-19/h5-12,14-15,20H,13H2,1-4H3,(H,23,24)/t15-,20+/m1/s1
InChIKeyHGISONGIEJUGMS-QRWLVFNGSA-N
XLogP4.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-fluorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 94013029
(2R)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenoxy)propanamide
CID 92679616
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 132666166
(2R)-2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 28566665
2-(3,4-dimethylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 132655454
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-2-yloxypropanamide
CID 94018574
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)propanamide
CID 93487722
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-1-yloxypropanamide
CID 92671905
(2S)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 94019584
(2R)-2-(2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 92674399
(2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide
CID 41198910
2-(4-fluorophenoxy)-N-[1-(4-methylphenyl)propyl]propanamide
CID 17328401

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide?
The IUPAC name of (2R)-2-(4-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide (CID 92685363) is (2R)-2-(4-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide.
What is the SMILES notation for (2R)-2-(4-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide?
The canonical SMILES for (2R)-2-(4-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide is COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide?
The InChIKey is HGISONGIEJUGMS-QRWLVFNGSA-N. The full InChI is InChI=1S/C21H26FNO3/c1-14(2)13-20(16-5-9-18(25-4)10-6-16)23-21(24)15(3)26-19-11-7-17(22)8-12-19/h5-12,14-15,20H,13H2,1-4H3,(H,23,24)/t15-,20+/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide?
(2R)-2-(4-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide has a molecular weight of 359.44 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide is sourced from PubChem (CID 92685363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).