2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide

C33H42N2O2 — CID 133192215

IUPAC2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
SMILESCc1ccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)C(Cc2ccccc2)C(=O)NC(C)C)cc1
InChIInChI=1S/C33H42N2O2/c1-24(2)34-32(37)30(22-27-10-8-7-9-11-27)35(23-28-14-12-25(3)13-15-28)31(36)21-18-26-16-19-29(20-17-26)33(4,5)6/h7-17,19-20,24,30H,18,21-23H2,1-6H3,(H,34,37)
InChIKeyHYTWWFCLUVEQCG-UHFFFAOYSA-N
MW498.71 g/mol
LogP6.39
Rot. Bonds10

About 2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide

2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide (PubChem CID 133192215) has the molecular formula C33H42N2O2 and a molecular weight of 498.71 g/mol. Its IUPAC name is 2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
PubChem CID133192215
Molecular FormulaC33H42N2O2
Molecular Weight498.71 g/mol
Exact Mass498.32
IUPAC Name2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
SMILESCc1ccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)C(Cc2ccccc2)C(=O)NC(C)C)cc1
InChIInChI=1S/C33H42N2O2/c1-24(2)34-32(37)30(22-27-10-8-7-9-11-27)35(23-28-14-12-25(3)13-15-28)31(36)21-18-26-16-19-29(20-17-26)33(4,5)6/h7-17,19-20,24,30H,18,21-23H2,1-6H3,(H,34,37)
InChIKeyHYTWWFCLUVEQCG-UHFFFAOYSA-N
XLogP6.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.71
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-tert-butylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133195664
2-[(4-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133257147
2-[benzyl-[3-(4-tert-butylphenyl)propanoyl]amino]-N-butan-2-yl-3-phenylpropanamide
CID 133226803
(2S)-2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100588604
(2S)-2-[(3-bromophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100521035
2-[(4-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133265472
(2R)-N-butyl-2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenylpropanamide
CID 100603460
2-[benzyl-[2-(4-tert-butylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133195357
(2S)-2-[3-(4-tert-butylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100744462
2-[(4-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133233459
2-[(4-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133172756
2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133195722

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide?
The IUPAC name of 2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide (CID 133192215) is 2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide is Cc1ccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)C(Cc2ccccc2)C(=O)NC(C)C)cc1.
What is the InChIKey of 2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide?
The InChIKey is HYTWWFCLUVEQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N2O2/c1-24(2)34-32(37)30(22-27-10-8-7-9-11-27)35(23-28-14-12-25(3)13-15-28)31(36)21-18-26-16-19-29(20-17-26)33(4,5)6/h7-17,19-20,24,30H,18,21-23H2,1-6H3,(H,34,37).
What are the key properties of 2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide?
2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide has a molecular weight of 498.71 g/mol, XLogP of 6.39, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 133192215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).