(2R)-N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-2-phenoxypropanamide

C22H29NO4 — CID 7318514

IUPAC(2R)-N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-2-phenoxypropanamide
SMILESC[C@@H](Oc1ccccc1)C(=O)NC[C@@H](O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H29NO4/c1-16(27-20-8-6-5-7-9-20)21(25)23-14-18(24)15-26-19-12-10-17(11-13-19)22(2,3)4/h5-13,16,18,24H,14-15H2,1-4H3,(H,23,25)/t16-,18-/m1/s1
InChIKeyUSPRCQIDNYYIBP-SJLPKXTDSA-N
MW371.48 g/mol
LogP3.31
Rot. Bonds8

About (2R)-N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-2-phenoxypropanamide

(2R)-N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-2-phenoxypropanamide (PubChem CID 7318514) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is (2R)-N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-2-phenoxypropanamide
PubChem CID7318514
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Name(2R)-N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-2-phenoxypropanamide
SMILESC[C@@H](Oc1ccccc1)C(=O)NC[C@@H](O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H29NO4/c1-16(27-20-8-6-5-7-9-20)21(25)23-14-18(24)15-26-19-12-10-17(11-13-19)22(2,3)4/h5-13,16,18,24H,14-15H2,1-4H3,(H,23,25)/t16-,18-/m1/s1
InChIKeyUSPRCQIDNYYIBP-SJLPKXTDSA-N
XLogP3.31
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-2-phenoxypropanamide
CID 7318513
2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide
CID 19204146
(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 94033716
N-(3-amino-2-methylpropyl)-2-(4-tert-butylphenoxy)propanamide
CID 119997217
tert-butyl N-(2-hydroxy-3-phenoxypropyl)carbamate
CID 14249476
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxybenzamide
CID 7276796
(2-hydroxy-3-phenoxypropyl) 4-tert-butylbenzoate
CID 122466220
(2S)-2-(4-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide
CID 8571270
N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-methoxyphenoxy)propanamide
CID 133239855
1-(benzylamino)-3-(4-tert-butylphenoxy)propan-2-ol;hydrochloride
CID 10405576
methyl (3S)-4-(4-tert-butylphenoxy)-3-hydroxybutanoate
CID 125470030

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-2-phenoxypropanamide?
The IUPAC name of (2R)-N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-2-phenoxypropanamide (CID 7318514) is (2R)-N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-2-phenoxypropanamide.
What is the SMILES notation for (2R)-N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-2-phenoxypropanamide?
The canonical SMILES for (2R)-N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-2-phenoxypropanamide is C[C@@H](Oc1ccccc1)C(=O)NC[C@@H](O)COc1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2R)-N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-2-phenoxypropanamide?
The InChIKey is USPRCQIDNYYIBP-SJLPKXTDSA-N. The full InChI is InChI=1S/C22H29NO4/c1-16(27-20-8-6-5-7-9-20)21(25)23-14-18(24)15-26-19-12-10-17(11-13-19)22(2,3)4/h5-13,16,18,24H,14-15H2,1-4H3,(H,23,25)/t16-,18-/m1/s1.
What are the key properties of (2R)-N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-2-phenoxypropanamide?
(2R)-N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-2-phenoxypropanamide has a molecular weight of 371.48 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-2-phenoxypropanamide is sourced from PubChem (CID 7318514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).