3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide

C21H27NO3 — CID 19221168

IUPAC3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1OC
InChIInChI=1S/C21H27NO3/c1-21(2,3)16-9-6-15(7-10-16)8-13-20(23)22-17-11-12-18(24-4)19(14-17)25-5/h6-7,9-12,14H,8,13H2,1-5H3,(H,22,23)
InChIKeyHYOROOJLPAYCDY-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.57
Rot. Bonds6

About 3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide

3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide (PubChem CID 19221168) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide
PubChem CID19221168
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1OC
InChIInChI=1S/C21H27NO3/c1-21(2,3)16-9-6-15(7-10-16)8-13-20(23)22-17-11-12-18(24-4)19(14-17)25-5/h6-7,9-12,14H,8,13H2,1-5H3,(H,22,23)
InChIKeyHYOROOJLPAYCDY-UHFFFAOYSA-N
XLogP4.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-tert-butylphenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide
CID 18272953
N-(3,4-dimethoxyphenyl)-3-(4-ethylphenyl)propanamide
CID 41453982
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838
N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 7741769
N-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 7914234
[2-(4-tert-butylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 40628747
4-[3-(4-tert-butylphenyl)propanoylamino]-2-methylbenzamide
CID 56517357
1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea
CID 108866246
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
4-[3-(3,4-dimethoxyphenyl)propanoylamino]-N-hydroxybenzamide
CID 44516409
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 4-tert-butylbenzoate
CID 7814936

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide (CID 19221168) is 3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1OC.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is HYOROOJLPAYCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-21(2,3)16-9-6-15(7-10-16)8-13-20(23)22-17-11-12-18(24-4)19(14-17)25-5/h6-7,9-12,14H,8,13H2,1-5H3,(H,22,23).
What are the key properties of 3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide?
3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 341.45 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 19221168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).