2-[benzyl-(2-phenylacetyl)amino]-N-[(4-methylphenyl)methyl]propanamide

C26H28N2O2 — CID 133148959

IUPAC2-[benzyl-(2-phenylacetyl)amino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)N(Cc2ccccc2)C(=O)Cc2ccccc2)cc1
InChIInChI=1S/C26H28N2O2/c1-20-13-15-23(16-14-20)18-27-26(30)21(2)28(19-24-11-7-4-8-12-24)25(29)17-22-9-5-3-6-10-22/h3-16,21H,17-19H2,1-2H3,(H,27,30)
InChIKeyMYDVGWYUNORENH-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.27
Rot. Bonds8

About 2-[benzyl-(2-phenylacetyl)amino]-N-[(4-methylphenyl)methyl]propanamide

2-[benzyl-(2-phenylacetyl)amino]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 133148959) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-[benzyl-(2-phenylacetyl)amino]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[benzyl-(2-phenylacetyl)amino]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID133148959
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name2-[benzyl-(2-phenylacetyl)amino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)N(Cc2ccccc2)C(=O)Cc2ccccc2)cc1
InChIInChI=1S/C26H28N2O2/c1-20-13-15-23(16-14-20)18-27-26(30)21(2)28(19-24-11-7-4-8-12-24)25(29)17-22-9-5-3-6-10-22/h3-16,21H,17-19H2,1-2H3,(H,27,30)
InChIKeyMYDVGWYUNORENH-UHFFFAOYSA-N
XLogP4.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide
CID 132653203
2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 133148986
(2S)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide
CID 100663135
(2S)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 100645911
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 133213144
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 133149475
(2R)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-[(2R)-butan-2-yl]propanamide
CID 100521800
N-benzyl-2-[benzyl(propanoyl)amino]propanamide
CID 133148772
2-[benzyl-(2-phenylacetyl)amino]-N-(2-hydroxyethyl)propanamide
CID 133148954
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 133213654
2-[benzyl-(2-phenylacetyl)amino]-N-(3-methylbutyl)propanamide
CID 133148978
2-[benzyl-(2-phenylacetyl)amino]-N-pentylpropanamide
CID 133148977

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-phenylacetyl)amino]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 2-[benzyl-(2-phenylacetyl)amino]-N-[(4-methylphenyl)methyl]propanamide (CID 133148959) is 2-[benzyl-(2-phenylacetyl)amino]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-[benzyl-(2-phenylacetyl)amino]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-[benzyl-(2-phenylacetyl)amino]-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)C(C)N(Cc2ccccc2)C(=O)Cc2ccccc2)cc1.
What is the InChIKey of 2-[benzyl-(2-phenylacetyl)amino]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is MYDVGWYUNORENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-20-13-15-23(16-14-20)18-27-26(30)21(2)28(19-24-11-7-4-8-12-24)25(29)17-22-9-5-3-6-10-22/h3-16,21H,17-19H2,1-2H3,(H,27,30).
What are the key properties of 2-[benzyl-(2-phenylacetyl)amino]-N-[(4-methylphenyl)methyl]propanamide?
2-[benzyl-(2-phenylacetyl)amino]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 400.52 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-phenylacetyl)amino]-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 133148959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).