2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide

C34H36N2O2 — CID 132619952

IUPAC2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
SMILESCCNC(=O)C(Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H36N2O2/c1-3-35-34(38)32(23-27-13-7-4-8-14-27)36(25-28-21-19-26(2)20-22-28)33(37)24-31(29-15-9-5-10-16-29)30-17-11-6-12-18-30/h4-22,31-32H,3,23-25H2,1-2H3,(H,35,38)
InChIKeyDRMKOUUDVVQBKG-UHFFFAOYSA-N
MW504.67 g/mol
LogP6.29
Rot. Bonds11

About 2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide

2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide (PubChem CID 132619952) has the molecular formula C34H36N2O2 and a molecular weight of 504.67 g/mol. Its IUPAC name is 2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
PubChem CID132619952
Molecular FormulaC34H36N2O2
Molecular Weight504.67 g/mol
Exact Mass504.28
IUPAC Name2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
SMILESCCNC(=O)C(Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H36N2O2/c1-3-35-34(38)32(23-27-13-7-4-8-14-27)36(25-28-21-19-26(2)20-22-28)33(37)24-31(29-15-9-5-10-16-29)30-17-11-6-12-18-30/h4-22,31-32H,3,23-25H2,1-2H3,(H,35,38)
InChIKeyDRMKOUUDVVQBKG-UHFFFAOYSA-N
XLogP6.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.67
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-3-phenylpropanamide
CID 132610904
2-[3,3-diphenylpropanoyl-[(4-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132622470
N-ethyl-2-[(4-methylphenyl)methyl-[2-(N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-3-phenylpropanamide
CID 132632653
2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-methylbutanamide
CID 132668468
2-[[2-(4-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132611969
(2S)-N-butyl-2-[(4-methylphenyl)methyl-propanoylamino]-3-phenylpropanamide
CID 100606085
2-[(4-bromophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133173494
N-butyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 133153411
2-[[2-(2,4-dimethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132613829
2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132618050
2-[(4-methylphenyl)methyl-(2-phenylsulfanylacetyl)amino]-3-phenyl-N-propylpropanamide
CID 132614152
2-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]-[(4-methylphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132625645

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide?
The IUPAC name of 2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide (CID 132619952) is 2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide.
What is the SMILES notation for 2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide?
The canonical SMILES for 2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide is CCNC(=O)C(Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide?
The InChIKey is DRMKOUUDVVQBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O2/c1-3-35-34(38)32(23-27-13-7-4-8-14-27)36(25-28-21-19-26(2)20-22-28)33(37)24-31(29-15-9-5-10-16-29)30-17-11-6-12-18-30/h4-22,31-32H,3,23-25H2,1-2H3,(H,35,38).
What are the key properties of 2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide?
2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide has a molecular weight of 504.67 g/mol, XLogP of 6.29, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide is sourced from PubChem (CID 132619952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).