2-phenyl-N-[[(2-phenylacetyl)amino]-(4-pyrrolidin-1-ylphenyl)methyl]acetamide

C27H29N3O2 — CID 71451975

IUPAC2-phenyl-N-[[(2-phenylacetyl)amino]-(4-pyrrolidin-1-ylphenyl)methyl]acetamide
SMILESO=C(Cc1ccccc1)NC(NC(=O)Cc1ccccc1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C27H29N3O2/c31-25(19-21-9-3-1-4-10-21)28-27(29-26(32)20-22-11-5-2-6-12-22)23-13-15-24(16-14-23)30-17-7-8-18-30/h1-6,9-16,27H,7-8,17-20H2,(H,28,31)(H,29,32)
InChIKeyDCQCBJYZWOJKND-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.00
Rot. Bonds8

About 2-phenyl-N-[[(2-phenylacetyl)amino]-(4-pyrrolidin-1-ylphenyl)methyl]acetamide

2-phenyl-N-[[(2-phenylacetyl)amino]-(4-pyrrolidin-1-ylphenyl)methyl]acetamide (PubChem CID 71451975) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-phenyl-N-[[(2-phenylacetyl)amino]-(4-pyrrolidin-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[[(2-phenylacetyl)amino]-(4-pyrrolidin-1-ylphenyl)methyl]acetamide
PubChem CID71451975
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name2-phenyl-N-[[(2-phenylacetyl)amino]-(4-pyrrolidin-1-ylphenyl)methyl]acetamide
SMILESO=C(Cc1ccccc1)NC(NC(=O)Cc1ccccc1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C27H29N3O2/c31-25(19-21-9-3-1-4-10-21)28-27(29-26(32)20-22-11-5-2-6-12-22)23-13-15-24(16-14-23)30-17-7-8-18-30/h1-6,9-16,27H,7-8,17-20H2,(H,28,31)(H,29,32)
InChIKeyDCQCBJYZWOJKND-UHFFFAOYSA-N
XLogP4.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-phenyl-N-[[(2-phenylacetyl)amino]-(4-pyrrolidin-1-ylphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[[(2-phenylacetyl)amino]-(4-pyrrolidin-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-phenyl-N-[[(2-phenylacetyl)amino]-(4-pyrrolidin-1-ylphenyl)methyl]acetamide (CID 71451975) is 2-phenyl-N-[[(2-phenylacetyl)amino]-(4-pyrrolidin-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[[(2-phenylacetyl)amino]-(4-pyrrolidin-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-phenyl-N-[[(2-phenylacetyl)amino]-(4-pyrrolidin-1-ylphenyl)methyl]acetamide is O=C(Cc1ccccc1)NC(NC(=O)Cc1ccccc1)c1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-phenyl-N-[[(2-phenylacetyl)amino]-(4-pyrrolidin-1-ylphenyl)methyl]acetamide?
The InChIKey is DCQCBJYZWOJKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c31-25(19-21-9-3-1-4-10-21)28-27(29-26(32)20-22-11-5-2-6-12-22)23-13-15-24(16-14-23)30-17-7-8-18-30/h1-6,9-16,27H,7-8,17-20H2,(H,28,31)(H,29,32).
What are the key properties of 2-phenyl-N-[[(2-phenylacetyl)amino]-(4-pyrrolidin-1-ylphenyl)methyl]acetamide?
2-phenyl-N-[[(2-phenylacetyl)amino]-(4-pyrrolidin-1-ylphenyl)methyl]acetamide has a molecular weight of 427.55 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[[(2-phenylacetyl)amino]-(4-pyrrolidin-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 71451975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).