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

C26H28N2O2 — CID 71459141

IUPAC2-phenyl-N-[[(2-phenylacetyl)amino]-(4-propan-2-ylphenyl)methyl]acetamide
SMILESCC(C)c1ccc(C(NC(=O)Cc2ccccc2)NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C26H28N2O2/c1-19(2)22-13-15-23(16-14-22)26(27-24(29)17-20-9-5-3-6-10-20)28-25(30)18-21-11-7-4-8-12-21/h3-16,19,26H,17-18H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyNVAPTGCRXPIJOZ-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.53
Rot. Bonds8

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

2-phenyl-N-[[(2-phenylacetyl)amino]-(4-propan-2-ylphenyl)methyl]acetamide (PubChem CID 71459141) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-phenyl-N-[[(2-phenylacetyl)amino]-(4-propan-2-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[[(2-phenylacetyl)amino]-(4-propan-2-ylphenyl)methyl]acetamide
PubChem CID71459141
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name2-phenyl-N-[[(2-phenylacetyl)amino]-(4-propan-2-ylphenyl)methyl]acetamide
SMILESCC(C)c1ccc(C(NC(=O)Cc2ccccc2)NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C26H28N2O2/c1-19(2)22-13-15-23(16-14-22)26(27-24(29)17-20-9-5-3-6-10-20)28-25(30)18-21-11-7-4-8-12-21/h3-16,19,26H,17-18H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyNVAPTGCRXPIJOZ-UHFFFAOYSA-N
XLogP4.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(dipropylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide
CID 71460953
2-(4-chlorophenyl)-N-[(4-chlorophenyl)-[[2-(4-chlorophenyl)acetyl]amino]methyl]acetamide
CID 71459140
(4-propan-2-ylphenyl) 2-phenylacetate
CID 917902
N-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide
CID 108571670
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
N-(1-methoxy-2-methylpropyl)-2-phenylacetamide
CID 58769252
2-phenyl-N-[N'-(4-propan-2-ylphenyl)carbamimidoyl]acetamide
CID 135568517
(2S)-2-[(2-phenylacetyl)amino]propanamide
CID 15719285
(2R)-2-[(2-phenylacetyl)amino]propanamide
CID 15719286
N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide
CID 42561776
N-[1-(2-methylphenyl)ethyl]-2-phenylacetamide
CID 59082083

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[[(2-phenylacetyl)amino]-(4-propan-2-ylphenyl)methyl]acetamide?
The IUPAC name of 2-phenyl-N-[[(2-phenylacetyl)amino]-(4-propan-2-ylphenyl)methyl]acetamide (CID 71459141) is 2-phenyl-N-[[(2-phenylacetyl)amino]-(4-propan-2-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[[(2-phenylacetyl)amino]-(4-propan-2-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-phenyl-N-[[(2-phenylacetyl)amino]-(4-propan-2-ylphenyl)methyl]acetamide is CC(C)c1ccc(C(NC(=O)Cc2ccccc2)NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of 2-phenyl-N-[[(2-phenylacetyl)amino]-(4-propan-2-ylphenyl)methyl]acetamide?
The InChIKey is NVAPTGCRXPIJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-19(2)22-13-15-23(16-14-22)26(27-24(29)17-20-9-5-3-6-10-20)28-25(30)18-21-11-7-4-8-12-21/h3-16,19,26H,17-18H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 2-phenyl-N-[[(2-phenylacetyl)amino]-(4-propan-2-ylphenyl)methyl]acetamide?
2-phenyl-N-[[(2-phenylacetyl)amino]-(4-propan-2-ylphenyl)methyl]acetamide has a molecular weight of 400.52 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[[(2-phenylacetyl)amino]-(4-propan-2-ylphenyl)methyl]acetamide is sourced from PubChem (CID 71459141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).