3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide

C22H29NO — CID 38016056

IUPAC3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc([C@@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H29NO/c1-16-6-11-19(12-7-16)17(2)23-21(24)15-10-18-8-13-20(14-9-18)22(3,4)5/h6-9,11-14,17H,10,15H2,1-5H3,(H,23,24)/t17-/m1/s1
InChIKeyLGWYVYLDNNRFIR-QGZVFWFLSA-N
MW323.48 g/mol
LogP5.10
Rot. Bonds5

About 3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide

3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide (PubChem CID 38016056) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
PubChem CID38016056
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc([C@@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H29NO/c1-16-6-11-19(12-7-16)17(2)23-21(24)15-10-18-8-13-20(14-9-18)22(3,4)5/h6-9,11-14,17H,10,15H2,1-5H3,(H,23,24)/t17-/m1/s1
InChIKeyLGWYVYLDNNRFIR-QGZVFWFLSA-N
XLogP5.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-tert-butylphenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 94027139
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 43886279
3-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856183
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 99866264
N-[1-(4-tert-butylphenyl)ethyl]-5-hydroxypentanamide
CID 79198933
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide
CID 99132994
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 99132993
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 93239788
6-amino-4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]hexanamide
CID 81356680
N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 127122521
N-[1-(4-fluorophenyl)ethyl]-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 43906459
3-(4-methylphenyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28578275

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide (CID 38016056) is 3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide is Cc1ccc([C@@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide?
The InChIKey is LGWYVYLDNNRFIR-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H29NO/c1-16-6-11-19(12-7-16)17(2)23-21(24)15-10-18-8-13-20(14-9-18)22(3,4)5/h6-9,11-14,17H,10,15H2,1-5H3,(H,23,24)/t17-/m1/s1.
What are the key properties of 3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide?
3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide has a molecular weight of 323.48 g/mol, XLogP of 5.10, 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-(4-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 38016056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).