N-[[4-(dimethylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide

C25H27N3O2 — CID 4296438

IUPACN-[[4-(dimethylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide
SMILESCN(C)c1ccc(C(NC(=O)Cc2ccccc2)NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C25H27N3O2/c1-28(2)22-15-13-21(14-16-22)25(26-23(29)17-19-9-5-3-6-10-19)27-24(30)18-20-11-7-4-8-12-20/h3-16,25H,17-18H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyXZLHEBHGANHBEG-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.47
Rot. Bonds8

About N-[[4-(dimethylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide

N-[[4-(dimethylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide (PubChem CID 4296438) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide
PubChem CID4296438
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-[[4-(dimethylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide
SMILESCN(C)c1ccc(C(NC(=O)Cc2ccccc2)NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C25H27N3O2/c1-28(2)22-15-13-21(14-16-22)25(26-23(29)17-19-9-5-3-6-10-19)27-24(30)18-20-11-7-4-8-12-20/h3-16,25H,17-18H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyXZLHEBHGANHBEG-UHFFFAOYSA-N
XLogP3.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide (CID 4296438) is N-[[4-(dimethylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide is CN(C)c1ccc(C(NC(=O)Cc2ccccc2)NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide?
The InChIKey is XZLHEBHGANHBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-28(2)22-15-13-21(14-16-22)25(26-23(29)17-19-9-5-3-6-10-19)27-24(30)18-20-11-7-4-8-12-20/h3-16,25H,17-18H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-[[4-(dimethylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide?
N-[[4-(dimethylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide has a molecular weight of 401.51 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide is sourced from PubChem (CID 4296438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).