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

C21H27NO4 — CID 99132381

IUPAC(2S)-2-(2-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
SMILESCC[C@H](Oc1ccccc1OC)C(=O)N[C@H](CC)c1ccc(OC)cc1
InChIInChI=1S/C21H27NO4/c1-5-17(15-11-13-16(24-3)14-12-15)22-21(23)18(6-2)26-20-10-8-7-9-19(20)25-4/h7-14,17-18H,5-6H2,1-4H3,(H,22,23)/t17-,18+/m1/s1
InChIKeyWQYNQAGGRDUITI-MSOLQXFVSA-N
MW357.45 g/mol
LogP4.13
Rot. Bonds9

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

(2S)-2-(2-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide (PubChem CID 99132381) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is (2S)-2-(2-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
PubChem CID99132381
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name(2S)-2-(2-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
SMILESCC[C@H](Oc1ccccc1OC)C(=O)N[C@H](CC)c1ccc(OC)cc1
InChIInChI=1S/C21H27NO4/c1-5-17(15-11-13-16(24-3)14-12-15)22-21(23)18(6-2)26-20-10-8-7-9-19(20)25-4/h7-14,17-18H,5-6H2,1-4H3,(H,22,23)/t17-,18+/m1/s1
InChIKeyWQYNQAGGRDUITI-MSOLQXFVSA-N
XLogP4.13
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]butanamide
CID 99132302
(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-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99131462
1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 78798433
2-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53286217
2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide
CID 17328056
2-(2-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide
CID 133250067
N-[1-(4-methoxyphenyl)propyl]-2,2-diphenylacetamide
CID 55371775
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)butanamide
CID 99132356
(2R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide
CID 28573185
2-(2-chlorophenoxy)-N-[1-(4-methylphenyl)propyl]butanamide
CID 17328424

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide?
The IUPAC name of (2S)-2-(2-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide (CID 99132381) is (2S)-2-(2-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide.
What is the SMILES notation for (2S)-2-(2-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide?
The canonical SMILES for (2S)-2-(2-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide is CC[C@H](Oc1ccccc1OC)C(=O)N[C@H](CC)c1ccc(OC)cc1.
What is the InChIKey of (2S)-2-(2-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide?
The InChIKey is WQYNQAGGRDUITI-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H27NO4/c1-5-17(15-11-13-16(24-3)14-12-15)22-21(23)18(6-2)26-20-10-8-7-9-19(20)25-4/h7-14,17-18H,5-6H2,1-4H3,(H,22,23)/t17-,18+/m1/s1.
What are the key properties of (2S)-2-(2-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide?
(2S)-2-(2-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide has a molecular weight of 357.45 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide is sourced from PubChem (CID 99132381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).