N-tert-butyl-2-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide

C29H34N2O2 — CID 133147087

IUPACN-tert-butyl-2-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
SMILESCc1cccc(CN(C(=O)Cc2ccccc2)C(Cc2ccccc2)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C29H34N2O2/c1-22-12-11-17-25(18-22)21-31(27(32)20-24-15-9-6-10-16-24)26(28(33)30-29(2,3)4)19-23-13-7-5-8-14-23/h5-18,26H,19-21H2,1-4H3,(H,30,33)
InChIKeyOKISPDKDVGVXED-UHFFFAOYSA-N
MW442.60 g/mol
LogP5.09
Rot. Bonds8

About N-tert-butyl-2-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide

N-tert-butyl-2-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide (PubChem CID 133147087) has the molecular formula C29H34N2O2 and a molecular weight of 442.60 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
PubChem CID133147087
Molecular FormulaC29H34N2O2
Molecular Weight442.60 g/mol
Exact Mass442.26
IUPAC NameN-tert-butyl-2-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
SMILESCc1cccc(CN(C(=O)Cc2ccccc2)C(Cc2ccccc2)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C29H34N2O2/c1-22-12-11-17-25(18-22)21-31(27(32)20-24-15-9-6-10-16-24)26(28(33)30-29(2,3)4)19-23-13-7-5-8-14-23/h5-18,26H,19-21H2,1-4H3,(H,30,33)
InChIKeyOKISPDKDVGVXED-UHFFFAOYSA-N
XLogP5.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.60
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 132763603
(2R)-2-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100745901
N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133147079
N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-3-phenylpropanamide
CID 133193855
(2R)-N-tert-butyl-2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 125110500
N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenylpropanamide
CID 133263229
N-tert-butyl-2-[(3-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide
CID 133147360
N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-3-phenylpropanamide
CID 133148072
N-tert-butyl-2-[[2-(2-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 132704509
(2S)-N-butyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100598428
2-[[2-(3,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133233173
N-tert-butyl-2-[[2-(4-methoxyphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133147683

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide?
The IUPAC name of N-tert-butyl-2-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide (CID 133147087) is N-tert-butyl-2-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide.
What is the SMILES notation for N-tert-butyl-2-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide?
The canonical SMILES for N-tert-butyl-2-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide is Cc1cccc(CN(C(=O)Cc2ccccc2)C(Cc2ccccc2)C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-2-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide?
The InChIKey is OKISPDKDVGVXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O2/c1-22-12-11-17-25(18-22)21-31(27(32)20-24-15-9-6-10-16-24)26(28(33)30-29(2,3)4)19-23-13-7-5-8-14-23/h5-18,26H,19-21H2,1-4H3,(H,30,33).
What are the key properties of N-tert-butyl-2-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide?
N-tert-butyl-2-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide has a molecular weight of 442.60 g/mol, XLogP of 5.09, 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-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide is sourced from PubChem (CID 133147087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).