N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide

C31H38N2O2 — CID 133147079

IUPACN-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
SMILESCc1cc(C)cc(CC(=O)N(Cc2ccccc2C)C(Cc2ccccc2)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C31H38N2O2/c1-22-16-23(2)18-26(17-22)20-29(34)33(21-27-15-11-10-12-24(27)3)28(30(35)32-31(4,5)6)19-25-13-8-7-9-14-25/h7-18,28H,19-21H2,1-6H3,(H,32,35)
InChIKeyHICCPOVZSICXKH-UHFFFAOYSA-N
MW470.66 g/mol
LogP5.71
Rot. Bonds8

About N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide

N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide (PubChem CID 133147079) has the molecular formula C31H38N2O2 and a molecular weight of 470.66 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
PubChem CID133147079
Molecular FormulaC31H38N2O2
Molecular Weight470.66 g/mol
Exact Mass470.29
IUPAC NameN-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
SMILESCc1cc(C)cc(CC(=O)N(Cc2ccccc2C)C(Cc2ccccc2)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C31H38N2O2/c1-22-16-23(2)18-26(17-22)20-29(34)33(21-27-15-11-10-12-24(27)3)28(30(35)32-31(4,5)6)19-25-13-8-7-9-14-25/h7-18,28H,19-21H2,1-6H3,(H,32,35)
InChIKeyHICCPOVZSICXKH-UHFFFAOYSA-N
XLogP5.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.66
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenylpropanamide
CID 133263229
N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-3-phenylpropanamide
CID 133148072
N-tert-butyl-2-[[2-[(3,5-dimethylphenyl)methylsulfanyl]acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133146757
N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-3-phenylpropanamide
CID 133193855
N-tert-butyl-2-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 133147087
N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132704519
N-[1-(tert-butylamino)-1-oxo-3-phenylpropan-2-yl]-4-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide
CID 133147037
N-tert-butyl-2-[[2-(2,5-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133146995
(2R)-2-[benzyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 100665531
2-[[2-(3-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133232837
2-[[2-(3-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132611964
(2R)-N-tert-butyl-2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 125100151

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide?
The IUPAC name of N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide (CID 133147079) is N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide?
The canonical SMILES for N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide is Cc1cc(C)cc(CC(=O)N(Cc2ccccc2C)C(Cc2ccccc2)C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide?
The InChIKey is HICCPOVZSICXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N2O2/c1-22-16-23(2)18-26(17-22)20-29(34)33(21-27-15-11-10-12-24(27)3)28(30(35)32-31(4,5)6)19-25-13-8-7-9-14-25/h7-18,28H,19-21H2,1-6H3,(H,32,35).
What are the key properties of N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide?
N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide has a molecular weight of 470.66 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 133147079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).