(2R)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide

C22H28ClNO3 — CID 94027354

IUPAC(2R)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
SMILESCC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C22H28ClNO3/c1-5-21(27-19-8-6-7-17(23)14-19)22(25)24-20(13-15(2)3)16-9-11-18(26-4)12-10-16/h6-12,14-15,20-21H,5,13H2,1-4H3,(H,24,25)/t20-,21+/m0/s1
InChIKeyVWPMAJIHIMJLOW-LEWJYISDSA-N
MW389.92 g/mol
LogP5.41
Rot. Bonds9

About (2R)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide

(2R)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide (PubChem CID 94027354) has the molecular formula C22H28ClNO3 and a molecular weight of 389.92 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
PubChem CID94027354
Molecular FormulaC22H28ClNO3
Molecular Weight389.92 g/mol
Exact Mass389.18
IUPAC Name(2R)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
SMILESCC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C22H28ClNO3/c1-5-21(27-19-8-6-7-17(23)14-19)22(25)24-20(13-15(2)3)16-9-11-18(26-4)12-10-16/h6-12,14-15,20-21H,5,13H2,1-4H3,(H,24,25)/t20-,21+/m0/s1
InChIKeyVWPMAJIHIMJLOW-LEWJYISDSA-N
XLogP5.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.92
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide with MolForge

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99131462
(2S)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 94019584
2-(4-chloro-3-methylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]butanamide
CID 132662163
(2R)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
CID 92675573
2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659513
2-(3-chlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]butanamide
CID 43877185
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)butanamide
CID 92672147
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide
CID 92682628
(2S)-2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
CID 92673583
(2R)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 28635444
(2S)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 28635445
(2R)-2-(3-chlorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 92679276

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide?
The IUPAC name of (2R)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide (CID 94027354) is (2R)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide.
What is the SMILES notation for (2R)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide?
The canonical SMILES for (2R)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide is CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1.
What is the InChIKey of (2R)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide?
The InChIKey is VWPMAJIHIMJLOW-LEWJYISDSA-N. The full InChI is InChI=1S/C22H28ClNO3/c1-5-21(27-19-8-6-7-17(23)14-19)22(25)24-20(13-15(2)3)16-9-11-18(26-4)12-10-16/h6-12,14-15,20-21H,5,13H2,1-4H3,(H,24,25)/t20-,21+/m0/s1.
What are the key properties of (2R)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide?
(2R)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide has a molecular weight of 389.92 g/mol, XLogP of 5.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide is sourced from PubChem (CID 94027354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).