(2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide

C14H21NO3 — CID 925163

IUPAC(2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(O[C@@H](C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H21NO3/c1-10(13(16)15-14(2,3)4)18-12-8-6-11(17-5)7-9-12/h6-10H,1-5H3,(H,15,16)/t10-/m0/s1
InChIKeyQTRDITZTGRTFLY-JTQLQIEISA-N
MW251.33 g/mol
LogP2.38
Rot. Bonds4

About (2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide

(2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide (PubChem CID 925163) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide
PubChem CID925163
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(O[C@@H](C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H21NO3/c1-10(13(16)15-14(2,3)4)18-12-8-6-11(17-5)7-9-12/h6-10H,1-5H3,(H,15,16)/t10-/m0/s1
InChIKeyQTRDITZTGRTFLY-JTQLQIEISA-N
XLogP2.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

N-tert-butyl-2-(4-formylphenoxy)propanamide
CID 43086480
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-tert-butylpropanamide
CID 78933085
4-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]oxybenzamide
CID 8946463
N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methoxyphenoxy)propanamide
CID 115968798
N-tert-butyl-2-[4-(methylaminomethyl)phenoxy]propanamide
CID 43276886
2-(2-amino-5-methoxyphenoxy)-N-tert-butylpropanamide
CID 102702269
2-(2-amino-4-methoxyphenoxy)-N-tert-butylpropanamide
CID 43116016
N-methoxy-2-(4-methoxyphenoxy)propanamide
CID 46565224
(2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 8887369
N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methoxyphenoxy)propanamide
CID 62521913
3-[2-(4-methoxyphenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 81368174
N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-methoxyphenoxy)-N-methylpropanamide
CID 51327712

Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of (2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide (CID 925163) is (2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for (2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for (2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide is COc1ccc(O[C@@H](C)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of (2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide?
The InChIKey is QTRDITZTGRTFLY-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(13(16)15-14(2,3)4)18-12-8-6-11(17-5)7-9-12/h6-10H,1-5H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide?
(2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide has a molecular weight of 251.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 925163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).