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

C23H29NO — CID 43876941

IUPAC3-(4-tert-butylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)NC2CCCc3ccccc32)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)
InChIKeyQCZNGBVLHHXLBI-UHFFFAOYSA-N
MW335.49 g/mol
LogP5.11
Rot. Bonds4

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

3-(4-tert-butylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 43876941) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
PubChem CID43876941
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name3-(4-tert-butylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)NC2CCCc3ccccc32)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)
InChIKeyQCZNGBVLHHXLBI-UHFFFAOYSA-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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Related Compounds

3-(4-tert-butylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28578102
3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43915646
3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 100683602
3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4826101
3-(3,4-difluorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 46686154
3-[4-(diethylsulfamoyl)phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28557445
3-[4-(propylsulfamoyl)phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28557166
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2710167
3-(2-hydroxyphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 9437286
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
3-cyclohexyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43835607

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (CID 43876941) is 3-(4-tert-butylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is CC(C)(C)c1ccc(CCC(=O)NC2CCCc3ccccc32)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is QCZNGBVLHHXLBI-UHFFFAOYSA-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).
What are the key properties of 3-(4-tert-butylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
3-(4-tert-butylphenyl)-N-(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-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 43876941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).