(2S)-2-acetamido-N-[2-(4-tert-butylphenyl)ethyl]-3-phenylpropanamide

C23H30N2O2 — CID 167860964

IUPAC(2S)-2-acetamido-N-[2-(4-tert-butylphenyl)ethyl]-3-phenylpropanamide
SMILESCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H30N2O2/c1-17(26)25-21(16-19-8-6-5-7-9-19)22(27)24-15-14-18-10-12-20(13-11-18)23(2,3)4/h5-13,21H,14-16H2,1-4H3,(H,24,27)(H,25,26)/t21-/m0/s1
InChIKeyJQBDGHRFUXJIRK-NRFANRHFSA-N
MW366.51 g/mol
LogP3.39
Rot. Bonds7

About (2S)-2-acetamido-N-[2-(4-tert-butylphenyl)ethyl]-3-phenylpropanamide

(2S)-2-acetamido-N-[2-(4-tert-butylphenyl)ethyl]-3-phenylpropanamide (PubChem CID 167860964) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is (2S)-2-acetamido-N-[2-(4-tert-butylphenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-[2-(4-tert-butylphenyl)ethyl]-3-phenylpropanamide
PubChem CID167860964
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name(2S)-2-acetamido-N-[2-(4-tert-butylphenyl)ethyl]-3-phenylpropanamide
SMILESCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H30N2O2/c1-17(26)25-21(16-19-8-6-5-7-9-19)22(27)24-15-14-18-10-12-20(13-11-18)23(2,3)4/h5-13,21H,14-16H2,1-4H3,(H,24,27)(H,25,26)/t21-/m0/s1
InChIKeyJQBDGHRFUXJIRK-NRFANRHFSA-N
XLogP3.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[2-(4-tert-butylphenyl)ethylamino]-3-phenylpropanoic acid
CID 122037566
2-acetamido-N-(2-fluoroethyl)-3-phenylpropanamide
CID 75581237
N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 7478806
N-[1-[2-(4-chlorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17459300
(2S)-2-acetamido-N-(4-aminobutyl)-3-phenylpropanamide
CID 156899646
(2S)-2-acetamido-N-hexadecyl-3-phenylpropanamide
CID 101010140
2-acetamido-N-(2-phenylethyl)-3-phenylsulfanylpropanamide
CID 4286385
N-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 2802422
(2S)-2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanoic acid
CID 13265658
(2S)-2-acetamido-N-(2-phenylethyl)propanamide
CID 51647688
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 100988168
(2S)-2-[[(2S)-2-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid
CID 102602635

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-[2-(4-tert-butylphenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-acetamido-N-[2-(4-tert-butylphenyl)ethyl]-3-phenylpropanamide (CID 167860964) is (2S)-2-acetamido-N-[2-(4-tert-butylphenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-acetamido-N-[2-(4-tert-butylphenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-acetamido-N-[2-(4-tert-butylphenyl)ethyl]-3-phenylpropanamide is CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2S)-2-acetamido-N-[2-(4-tert-butylphenyl)ethyl]-3-phenylpropanamide?
The InChIKey is JQBDGHRFUXJIRK-NRFANRHFSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-17(26)25-21(16-19-8-6-5-7-9-19)22(27)24-15-14-18-10-12-20(13-11-18)23(2,3)4/h5-13,21H,14-16H2,1-4H3,(H,24,27)(H,25,26)/t21-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-[2-(4-tert-butylphenyl)ethyl]-3-phenylpropanamide?
(2S)-2-acetamido-N-[2-(4-tert-butylphenyl)ethyl]-3-phenylpropanamide has a molecular weight of 366.51 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-[2-(4-tert-butylphenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 167860964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).