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3-(4-tert-butylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C23H29NO — CID 28578102

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(4-tert-butylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)N[C@@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C23H29NO/c1-23(2,3)19-14-11-17(12-15-19)13-16-22(25)24-21-10-6-8-18-7-4-5-9-20(18)21/h4-5,7,9,11-12,14-15,21H,6,8,10,13,16H2,1-3H3,(H,24,25)/t21-/m1/s1
InChIKeyQCZNGBVLHHXLBI-OAQYLSRUSA-N
MW335.49 g/mol
LogP5.11
Rot. Bonds4

About 3-(4-tert-butylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

3-(4-tert-butylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 28578102) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID28578102
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name3-(4-tert-butylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)N[C@@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C23H29NO/c1-23(2,3)19-14-11-17(12-15-19)13-16-22(25)24-21-10-6-8-18-7-4-5-9-20(18)21/h4-5,7,9,11-12,14-15,21H,6,8,10,13,16H2,1-3H3,(H,24,25)/t21-/m1/s1
InChIKeyQCZNGBVLHHXLBI-OAQYLSRUSA-N
XLogP5.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 28578102) is 3-(4-tert-butylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is CC(C)(C)c1ccc(CCC(=O)N[C@@H]2CCCc3ccccc32)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is QCZNGBVLHHXLBI-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H29NO/c1-23(2,3)19-14-11-17(12-15-19)13-16-22(25)24-21-10-6-8-18-7-4-5-9-20(18)21/h4-5,7,9,11-12,14-15,21H,6,8,10,13,16H2,1-3H3,(H,24,25)/t21-/m1/s1.
What are the key properties of 3-(4-tert-butylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
3-(4-tert-butylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 335.49 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 28578102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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