(2S)-N-[(4-tert-butylphenyl)methyl]-3-(4-hydroxyphenyl)-2-phenylpropanamide

C26H29NO2 — CID 7381172

IUPAC(2S)-N-[(4-tert-butylphenyl)methyl]-3-(4-hydroxyphenyl)-2-phenylpropanamide
SMILESCC(C)(C)c1ccc(CNC(=O)[C@@H](Cc2ccc(O)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H29NO2/c1-26(2,3)22-13-9-20(10-14-22)18-27-25(29)24(21-7-5-4-6-8-21)17-19-11-15-23(28)16-12-19/h4-16,24,28H,17-18H2,1-3H3,(H,27,29)/t24-/m0/s1
InChIKeyCCABQXIPCUTXMZ-DEOSSOPVSA-N
MW387.52 g/mol
LogP5.33
Rot. Bonds6

About (2S)-N-[(4-tert-butylphenyl)methyl]-3-(4-hydroxyphenyl)-2-phenylpropanamide

(2S)-N-[(4-tert-butylphenyl)methyl]-3-(4-hydroxyphenyl)-2-phenylpropanamide (PubChem CID 7381172) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is (2S)-N-[(4-tert-butylphenyl)methyl]-3-(4-hydroxyphenyl)-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(4-tert-butylphenyl)methyl]-3-(4-hydroxyphenyl)-2-phenylpropanamide
PubChem CID7381172
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name(2S)-N-[(4-tert-butylphenyl)methyl]-3-(4-hydroxyphenyl)-2-phenylpropanamide
SMILESCC(C)(C)c1ccc(CNC(=O)[C@@H](Cc2ccc(O)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H29NO2/c1-26(2,3)22-13-9-20(10-14-22)18-27-25(29)24(21-7-5-4-6-8-21)17-19-11-15-23(28)16-12-19/h4-16,24,28H,17-18H2,1-3H3,(H,27,29)/t24-/m0/s1
InChIKeyCCABQXIPCUTXMZ-DEOSSOPVSA-N
XLogP5.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-2,2-diphenylacetamide
CID 2225639
(2R)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)-2-phenylpropanamide
CID 97436317
(2R)-2-amino-N-[(4-hydroxyphenyl)methyl]-2-phenylacetamide
CID 96927089
4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577854
sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid
CID 54612500
1-(4-tert-butylphenyl)-2,3-diphenylpropan-1-one
CID 135032816
N-[[3-[[[amino-[[N'-[(4-hydroxyphenyl)methyl]carbamimidoyl]carbamoylamino]methylidene]amino]methyl]phenyl]methyl]-2,3-diphenylpropanamide
CID 20755803
(2S)-3-(4-hydroxyphenyl)-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide
CID 97445107
(2S)-3-[4-[(3S)-4-[(4-tert-butylphenyl)methylamino]-3-phenyl-4-sulfanylidenebutyl]phenyl]-2-ethoxypropanoic acid
CID 25106616
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylbutanamide
CID 61018971
3-amino-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylpropanamide
CID 62878017
N-benzyl-2-(4-tert-butylanilino)propanamide
CID 134062813

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-tert-butylphenyl)methyl]-3-(4-hydroxyphenyl)-2-phenylpropanamide?
The IUPAC name of (2S)-N-[(4-tert-butylphenyl)methyl]-3-(4-hydroxyphenyl)-2-phenylpropanamide (CID 7381172) is (2S)-N-[(4-tert-butylphenyl)methyl]-3-(4-hydroxyphenyl)-2-phenylpropanamide.
What is the SMILES notation for (2S)-N-[(4-tert-butylphenyl)methyl]-3-(4-hydroxyphenyl)-2-phenylpropanamide?
The canonical SMILES for (2S)-N-[(4-tert-butylphenyl)methyl]-3-(4-hydroxyphenyl)-2-phenylpropanamide is CC(C)(C)c1ccc(CNC(=O)[C@@H](Cc2ccc(O)cc2)c2ccccc2)cc1.
What is the InChIKey of (2S)-N-[(4-tert-butylphenyl)methyl]-3-(4-hydroxyphenyl)-2-phenylpropanamide?
The InChIKey is CCABQXIPCUTXMZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H29NO2/c1-26(2,3)22-13-9-20(10-14-22)18-27-25(29)24(21-7-5-4-6-8-21)17-19-11-15-23(28)16-12-19/h4-16,24,28H,17-18H2,1-3H3,(H,27,29)/t24-/m0/s1.
What are the key properties of (2S)-N-[(4-tert-butylphenyl)methyl]-3-(4-hydroxyphenyl)-2-phenylpropanamide?
(2S)-N-[(4-tert-butylphenyl)methyl]-3-(4-hydroxyphenyl)-2-phenylpropanamide has a molecular weight of 387.52 g/mol, XLogP of 5.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-tert-butylphenyl)methyl]-3-(4-hydroxyphenyl)-2-phenylpropanamide is sourced from PubChem (CID 7381172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).