(2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide

C14H21NO3 — CID 9179566

IUPAC(2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide
SMILESCC[C@@H](C)NC(=O)[C@@H](C)Oc1ccccc1OC
InChIInChI=1S/C14H21NO3/c1-5-10(2)15-14(16)11(3)18-13-9-7-6-8-12(13)17-4/h6-11H,5H2,1-4H3,(H,15,16)/t10-,11-/m1/s1
InChIKeyXGKBOKLZIDGSTD-GHMZBOCLSA-N
MW251.33 g/mol
LogP2.38
Rot. Bonds6

About (2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide

(2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide (PubChem CID 9179566) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide
PubChem CID9179566
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide
SMILESCC[C@@H](C)NC(=O)[C@@H](C)Oc1ccccc1OC
InChIInChI=1S/C14H21NO3/c1-5-10(2)15-14(16)11(3)18-13-9-7-6-8-12(13)17-4/h6-11H,5H2,1-4H3,(H,15,16)/t10-,11-/m1/s1
InChIKeyXGKBOKLZIDGSTD-GHMZBOCLSA-N
XLogP2.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide
CID 92676181
2-(2-bromophenoxy)-N-butan-2-ylpropanamide
CID 43117128
(2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 925169
N-[1-(3,4-dimethylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 132652272
(2R)-N-butyl-2-(2-methoxyphenoxy)propanamide
CID 40745436
2-(2-amino-3-methylphenoxy)-N-butan-2-ylpropanamide
CID 43381867
N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 40537959
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 133160157
2-(2-bromo-4-methoxyphenoxy)-N-butan-2-ylpropanamide
CID 104704703
(2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 92684665
(2S)-2-(2-ethylphenoxy)-N-[(2R)-pentan-2-yl]propanamide
CID 92684666
1-butan-2-yl-3-(2-methoxyphenyl)urea
CID 19167871

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide?
The IUPAC name of (2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide (CID 9179566) is (2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide?
The canonical SMILES for (2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide is CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccccc1OC.
What is the InChIKey of (2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide?
The InChIKey is XGKBOKLZIDGSTD-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-10(2)15-14(16)11(3)18-13-9-7-6-8-12(13)17-4/h6-11H,5H2,1-4H3,(H,15,16)/t10-,11-/m1/s1.
What are the key properties of (2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide?
(2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide has a molecular weight of 251.33 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide is sourced from PubChem (CID 9179566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).