2-[benzyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide

C29H27N3O2 — CID 133237149

IUPAC2-[benzyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(NCc1ccncc1)C(c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1
InChIInChI=1S/C29H27N3O2/c33-27(20-23-10-4-1-5-11-23)32(22-25-12-6-2-7-13-25)28(26-14-8-3-9-15-26)29(34)31-21-24-16-18-30-19-17-24/h1-19,28H,20-22H2,(H,31,34)
InChIKeyGZFBUHJNSISFDJ-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.71
Rot. Bonds9

About 2-[benzyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide

2-[benzyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 133237149) has the molecular formula C29H27N3O2 and a molecular weight of 449.55 g/mol. Its IUPAC name is 2-[benzyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
PubChem CID133237149
Molecular FormulaC29H27N3O2
Molecular Weight449.55 g/mol
Exact Mass449.21
IUPAC Name2-[benzyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(NCc1ccncc1)C(c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1
InChIInChI=1S/C29H27N3O2/c33-27(20-23-10-4-1-5-11-23)32(22-25-12-6-2-7-13-25)28(26-14-8-3-9-15-26)29(34)31-21-24-16-18-30-19-17-24/h1-19,28H,20-22H2,(H,31,34)
InChIKeyGZFBUHJNSISFDJ-UHFFFAOYSA-N
XLogP4.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 133238314
N-benzyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238234
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 133149475
2-[acetyl-[(4-chlorophenyl)methyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 133237321
2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 133238795
(2S)-2-[[2-[benzyl(methylsulfonyl)amino]acetyl]-[(4-methoxyphenyl)methyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 125046701
N-benzyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3201948
2-[acetyl(benzyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 133214013
2-[benzyl(3-phenylpropanoyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 133214149
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133237216
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 133238311
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3201947

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[benzyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide (CID 133237149) is 2-[benzyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[benzyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[benzyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide is O=C(NCc1ccncc1)C(c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is GZFBUHJNSISFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O2/c33-27(20-23-10-4-1-5-11-23)32(22-25-12-6-2-7-13-25)28(26-14-8-3-9-15-26)29(34)31-21-24-16-18-30-19-17-24/h1-19,28H,20-22H2,(H,31,34).
What are the key properties of 2-[benzyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide?
2-[benzyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 449.55 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 133237149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).