3-(4-tert-butylphenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide

C23H31NO — CID 94027139

IUPAC3-(4-tert-butylphenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
SMILESCc1ccc([C@@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C23H31NO/c1-16-7-13-21(17(2)15-16)18(3)24-22(25)14-10-19-8-11-20(12-9-19)23(4,5)6/h7-9,11-13,15,18H,10,14H2,1-6H3,(H,24,25)/t18-/m1/s1
InChIKeyBMIXTOFNWUCQEK-GOSISDBHSA-N
MW337.51 g/mol
LogP5.41
Rot. Bonds5

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

3-(4-tert-butylphenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide (PubChem CID 94027139) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
PubChem CID94027139
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name3-(4-tert-butylphenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
SMILESCc1ccc([C@@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C23H31NO/c1-16-7-13-21(17(2)15-16)18(3)24-22(25)14-10-19-8-11-20(12-9-19)23(4,5)6/h7-9,11-13,15,18H,10,14H2,1-6H3,(H,24,25)/t18-/m1/s1
InChIKeyBMIXTOFNWUCQEK-GOSISDBHSA-N
XLogP5.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 100589534
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 99643736
3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 38016056
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 93239788
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 99132998
2-(4-tert-butyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 92671694
3-(3H-benzimidazol-5-yl)-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
CID 53131402
6-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4,4-dimethylhexanamide
CID 65290863
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 133178558
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide
CID 17327195
N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylphenyl)propanamide
CID 132650390
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 17285343

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide (CID 94027139) is 3-(4-tert-butylphenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide is Cc1ccc([C@@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)c(C)c1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide?
The InChIKey is BMIXTOFNWUCQEK-GOSISDBHSA-N. The full InChI is InChI=1S/C23H31NO/c1-16-7-13-21(17(2)15-16)18(3)24-22(25)14-10-19-8-11-20(12-9-19)23(4,5)6/h7-9,11-13,15,18H,10,14H2,1-6H3,(H,24,25)/t18-/m1/s1.
What are the key properties of 3-(4-tert-butylphenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide?
3-(4-tert-butylphenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide has a molecular weight of 337.51 g/mol, XLogP of 5.41, 5 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-(2,4-dimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 94027139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).