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

C21H27NO4 — CID 7276796

IUPACN-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@@H](O)COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H27NO4/c1-21(2,3)16-7-11-19(12-8-16)26-14-17(23)13-22-20(24)15-5-9-18(25-4)10-6-15/h5-12,17,23H,13-14H2,1-4H3,(H,22,24)/t17-/m1/s1
InChIKeyWHUMCMMXCDGFLE-QGZVFWFLSA-N
MW357.45 g/mol
LogP3.16
Rot. Bonds7

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

N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxybenzamide (PubChem CID 7276796) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxybenzamide
PubChem CID7276796
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC NameN-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@@H](O)COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H27NO4/c1-21(2,3)16-7-11-19(12-8-16)26-14-17(23)13-22-20(24)15-5-9-18(25-4)10-6-15/h5-12,17,23H,13-14H2,1-4H3,(H,22,24)/t17-/m1/s1
InChIKeyWHUMCMMXCDGFLE-QGZVFWFLSA-N
XLogP3.16
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-3,4,5-trimethoxybenzamide
CID 7297778
N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-nitrobenzamide
CID 889930
N-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methoxybenzamide
CID 800926
4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-N-ethylbenzamide
CID 129404987
2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid
CID 2812098
methyl (3S)-4-(4-tert-butylphenoxy)-3-hydroxybutanoate
CID 125470030
4-ethyl-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]benzamide
CID 95344832
N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 6930395
4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103771049
(2S)-N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-2-phenoxypropanamide
CID 7318513
(2R)-N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-2-phenoxypropanamide
CID 7318514
1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-3-[(4-hydroxyphenyl)methyl]urea
CID 121495478

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxybenzamide?
The IUPAC name of N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxybenzamide (CID 7276796) is N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxybenzamide?
The canonical SMILES for N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxybenzamide is COc1ccc(C(=O)NC[C@@H](O)COc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxybenzamide?
The InChIKey is WHUMCMMXCDGFLE-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27NO4/c1-21(2,3)16-7-11-19(12-8-16)26-14-17(23)13-22-20(24)15-5-9-18(25-4)10-6-15/h5-12,17,23H,13-14H2,1-4H3,(H,22,24)/t17-/m1/s1.
What are the key properties of N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxybenzamide?
N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxybenzamide has a molecular weight of 357.45 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxybenzamide is sourced from PubChem (CID 7276796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).