2-[benzyl-(2-phenylacetyl)amino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide

C30H36N2O3 — CID 133214125

IUPAC2-[benzyl-(2-phenylacetyl)amino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide
SMILESCC(C)OCCCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1
InChIInChI=1S/C30H36N2O3/c1-24(2)35-20-12-19-31-30(34)28(21-25-13-6-3-7-14-25)32(23-27-17-10-5-11-18-27)29(33)22-26-15-8-4-9-16-26/h3-11,13-18,24,28H,12,19-23H2,1-2H3,(H,31,34)
InChIKeyGZDAKDMCKJOURX-UHFFFAOYSA-N
MW472.63 g/mol
LogP4.80
Rot. Bonds13

About 2-[benzyl-(2-phenylacetyl)amino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide

2-[benzyl-(2-phenylacetyl)amino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 133214125) has the molecular formula C30H36N2O3 and a molecular weight of 472.63 g/mol. Its IUPAC name is 2-[benzyl-(2-phenylacetyl)amino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name2-[benzyl-(2-phenylacetyl)amino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide
PubChem CID133214125
Molecular FormulaC30H36N2O3
Molecular Weight472.63 g/mol
Exact Mass472.27
IUPAC Name2-[benzyl-(2-phenylacetyl)amino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide
SMILESCC(C)OCCCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1
InChIInChI=1S/C30H36N2O3/c1-24(2)35-20-12-19-31-30(34)28(21-25-13-6-3-7-14-25)32(23-27-17-10-5-11-18-27)29(33)22-26-15-8-4-9-16-26/h3-11,13-18,24,28H,12,19-23H2,1-2H3,(H,31,34)
InChIKeyGZDAKDMCKJOURX-UHFFFAOYSA-N
XLogP4.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[benzyl-(2-phenylacetyl)amino]-N-(3-ethoxypropyl)-3-phenylpropanamide
CID 133214124
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(3-propan-2-yloxypropyl)propanamide
CID 133149478
N-(3-ethoxypropyl)-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 133215163
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
CID 133237698
2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
CID 133238250
N-butyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 133153411
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 133152610
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(3-ethoxypropyl)-3-phenylpropanamide
CID 133236153
N-butyl-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 133231748
2-[[2-(4-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132611969
2-[benzyl-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]amino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide
CID 133213871
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(3-methylbutyl)-3-phenylpropanamide
CID 133214644

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-phenylacetyl)amino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide?
The IUPAC name of 2-[benzyl-(2-phenylacetyl)amino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide (CID 133214125) is 2-[benzyl-(2-phenylacetyl)amino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide.
What is the SMILES notation for 2-[benzyl-(2-phenylacetyl)amino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide?
The canonical SMILES for 2-[benzyl-(2-phenylacetyl)amino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide is CC(C)OCCCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-(2-phenylacetyl)amino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide?
The InChIKey is GZDAKDMCKJOURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O3/c1-24(2)35-20-12-19-31-30(34)28(21-25-13-6-3-7-14-25)32(23-27-17-10-5-11-18-27)29(33)22-26-15-8-4-9-16-26/h3-11,13-18,24,28H,12,19-23H2,1-2H3,(H,31,34).
What are the key properties of 2-[benzyl-(2-phenylacetyl)amino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide?
2-[benzyl-(2-phenylacetyl)amino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide has a molecular weight of 472.63 g/mol, XLogP of 4.80, 13 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]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 133214125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).