4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide

C21H27NO3 — CID 1344308

IUPAC4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC
InChIInChI=1S/C21H27NO3/c1-14(16-9-12-18(24-5)19(13-16)25-6)22-20(23)15-7-10-17(11-8-15)21(2,3)4/h7-14H,1-6H3,(H,22,23)/t14-/m0/s1
InChIKeyOOXLGKHDXVGDJJ-AWEZNQCLSA-N
MW341.45 g/mol
LogP4.49
Rot. Bonds5

About 4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide

4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide (PubChem CID 1344308) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
PubChem CID1344308
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC
InChIInChI=1S/C21H27NO3/c1-14(16-9-12-18(24-5)19(13-16)25-6)22-20(23)15-7-10-17(11-8-15)21(2,3)4/h7-14H,1-6H3,(H,22,23)/t14-/m0/s1
InChIKeyOOXLGKHDXVGDJJ-AWEZNQCLSA-N
XLogP4.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
N-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 133225143
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfanylbenzamide
CID 78852706
N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 2970831
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 28557669
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 28560234
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 28557637
2-(4-tert-butylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329495
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide (CID 1344308) is 4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide is COc1ccc([C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC.
What is the InChIKey of 4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide?
The InChIKey is OOXLGKHDXVGDJJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H27NO3/c1-14(16-9-12-18(24-5)19(13-16)25-6)22-20(23)15-7-10-17(11-8-15)21(2,3)4/h7-14H,1-6H3,(H,22,23)/t14-/m0/s1.
What are the key properties of 4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide?
4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide has a molecular weight of 341.45 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 1344308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).