(2R)-2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3,4-dimethoxyphenyl)propanamide

C21H27NO4 — CID 26561785

IUPAC(2R)-2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3,4-dimethoxyphenyl)propanamide
SMILESCC[C@H](C)c1ccc(O[C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H27NO4/c1-6-14(2)16-7-10-18(11-8-16)26-15(3)21(23)22-17-9-12-19(24-4)20(13-17)25-5/h7-15H,6H2,1-5H3,(H,22,23)/t14-,15+/m0/s1
InChIKeyQVOHFSPXJOWZJN-LSDHHAIUSA-N
MW357.45 g/mol
LogP4.62
Rot. Bonds8

About (2R)-2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3,4-dimethoxyphenyl)propanamide

(2R)-2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3,4-dimethoxyphenyl)propanamide (PubChem CID 26561785) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is (2R)-2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3,4-dimethoxyphenyl)propanamide
PubChem CID26561785
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name(2R)-2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3,4-dimethoxyphenyl)propanamide
SMILESCC[C@H](C)c1ccc(O[C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H27NO4/c1-6-14(2)16-7-10-18(11-8-16)26-15(3)21(23)22-17-9-12-19(24-4)20(13-17)25-5/h7-15H,6H2,1-5H3,(H,22,23)/t14-,15+/m0/s1
InChIKeyQVOHFSPXJOWZJN-LSDHHAIUSA-N
XLogP4.62
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 2088418
(2S)-N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenoxy)propanamide
CID 7935749
(2S)-2-(4-bromophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]propanamide
CID 2204242
2-(2-butan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 54781417
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 24511211
N-(3-chloro-4-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953719
(2S)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 26802583
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 51233943
[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8935769
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 925231
(2S)-N-(4-ethoxy-3-methoxyphenyl)-2-(3-methylphenoxy)propanamide
CID 39729674
(2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide
CID 42313650

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of (2R)-2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3,4-dimethoxyphenyl)propanamide (CID 26561785) is (2R)-2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3,4-dimethoxyphenyl)propanamide is CC[C@H](C)c1ccc(O[C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of (2R)-2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is QVOHFSPXJOWZJN-LSDHHAIUSA-N. The full InChI is InChI=1S/C21H27NO4/c1-6-14(2)16-7-10-18(11-8-16)26-15(3)21(23)22-17-9-12-19(24-4)20(13-17)25-5/h7-15H,6H2,1-5H3,(H,22,23)/t14-,15+/m0/s1.
What are the key properties of (2R)-2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3,4-dimethoxyphenyl)propanamide?
(2R)-2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 357.45 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 26561785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).