(2S)-2-(4-tert-butylphenoxy)-N-(3,5-dimethoxyphenyl)propanamide

C21H27NO4 — CID 8572754

IUPAC(2S)-2-(4-tert-butylphenoxy)-N-(3,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc(OC)c1
InChIInChI=1S/C21H27NO4/c1-14(26-17-9-7-15(8-10-17)21(2,3)4)20(23)22-16-11-18(24-5)13-19(12-16)25-6/h7-14H,1-6H3,(H,22,23)/t14-/m0/s1
InChIKeyLUCZHMHEVDZJDH-AWEZNQCLSA-N
MW357.45 g/mol
LogP4.41
Rot. Bonds6

About (2S)-2-(4-tert-butylphenoxy)-N-(3,5-dimethoxyphenyl)propanamide

(2S)-2-(4-tert-butylphenoxy)-N-(3,5-dimethoxyphenyl)propanamide (PubChem CID 8572754) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is (2S)-2-(4-tert-butylphenoxy)-N-(3,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-tert-butylphenoxy)-N-(3,5-dimethoxyphenyl)propanamide
PubChem CID8572754
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name(2S)-2-(4-tert-butylphenoxy)-N-(3,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc(OC)c1
InChIInChI=1S/C21H27NO4/c1-14(26-17-9-7-15(8-10-17)21(2,3)4)20(23)22-16-11-18(24-5)13-19(12-16)25-6/h7-14H,1-6H3,(H,22,23)/t14-/m0/s1
InChIKeyLUCZHMHEVDZJDH-AWEZNQCLSA-N
XLogP4.41
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-N-(3,5-dimethoxyphenyl)propanamide
CID 2953803
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
CID 2938601
N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266599
4-[2-(4-tert-butylphenoxy)propanoylamino]-N-methylbenzamide
CID 43888226
(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide
CID 7703328
2-(3-methoxyphenoxy)-N-(4-methoxyphenyl)propanamide
CID 19203873
propan-2-yl 4-[2-(4-tert-butylphenoxy)propanoylamino]benzoate
CID 19203456
2-(4-tert-butylphenoxy)-N-(2,5-difluorophenyl)propanamide
CID 43024778
N-[4-[2-(4-tert-butylphenoxy)propanoylamino]phenyl]butanamide
CID 17202560
N-(4-amino-2-methoxyphenyl)-2-(4-tert-butylphenoxy)propanamide
CID 54852668
(2S)-2-(4-tert-butylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9141292
3-[2-(4-tert-butylphenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 17197514

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-tert-butylphenoxy)-N-(3,5-dimethoxyphenyl)propanamide?
The IUPAC name of (2S)-2-(4-tert-butylphenoxy)-N-(3,5-dimethoxyphenyl)propanamide (CID 8572754) is (2S)-2-(4-tert-butylphenoxy)-N-(3,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-tert-butylphenoxy)-N-(3,5-dimethoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-tert-butylphenoxy)-N-(3,5-dimethoxyphenyl)propanamide is COc1cc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc(OC)c1.
What is the InChIKey of (2S)-2-(4-tert-butylphenoxy)-N-(3,5-dimethoxyphenyl)propanamide?
The InChIKey is LUCZHMHEVDZJDH-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H27NO4/c1-14(26-17-9-7-15(8-10-17)21(2,3)4)20(23)22-16-11-18(24-5)13-19(12-16)25-6/h7-14H,1-6H3,(H,22,23)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-tert-butylphenoxy)-N-(3,5-dimethoxyphenyl)propanamide?
(2S)-2-(4-tert-butylphenoxy)-N-(3,5-dimethoxyphenyl)propanamide has a molecular weight of 357.45 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-tert-butylphenoxy)-N-(3,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 8572754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).