2-[benzyl-(2-phenylacetyl)amino]-N,N'-ditert-butylpropanediamide

C26H35N3O3 — CID 11004638

IUPAC2-[benzyl-(2-phenylacetyl)amino]-N,N'-ditert-butylpropanediamide
SMILESCC(C)(C)NC(=O)C(C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1
InChIInChI=1S/C26H35N3O3/c1-25(2,3)27-23(31)22(24(32)28-26(4,5)6)29(18-20-15-11-8-12-16-20)21(30)17-19-13-9-7-10-14-19/h7-16,22H,17-18H2,1-6H3,(H,27,31)(H,28,32)
InChIKeyCUDVAFXKKOSFHS-UHFFFAOYSA-N
MW437.58 g/mol
LogP3.46
Rot. Bonds7

About 2-[benzyl-(2-phenylacetyl)amino]-N,N'-ditert-butylpropanediamide

2-[benzyl-(2-phenylacetyl)amino]-N,N'-ditert-butylpropanediamide (PubChem CID 11004638) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 2-[benzyl-(2-phenylacetyl)amino]-N,N'-ditert-butylpropanediamide.

Molecular Properties

Compound Name2-[benzyl-(2-phenylacetyl)amino]-N,N'-ditert-butylpropanediamide
PubChem CID11004638
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name2-[benzyl-(2-phenylacetyl)amino]-N,N'-ditert-butylpropanediamide
SMILESCC(C)(C)NC(=O)C(C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1
InChIInChI=1S/C26H35N3O3/c1-25(2,3)27-23(31)22(24(32)28-26(4,5)6)29(18-20-15-11-8-12-16-20)21(30)17-19-13-9-7-10-14-19/h7-16,22H,17-18H2,1-6H3,(H,27,31)(H,28,32)
InChIKeyCUDVAFXKKOSFHS-UHFFFAOYSA-N
XLogP3.46
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 132702936
2-[benzyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-tert-butylbutanamide
CID 132704423
N-tert-butyl-2-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 133147087
N-tert-butyl-2-[[2-(4-methoxyphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133147683
(2R)-2-[benzyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide
CID 100638766
N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 132712901
2-[benzyl-(2-phenylacetyl)amino]-N-(2-hydroxyethyl)propanamide
CID 133148954
N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132702925
N-benzyl-2-phenyl-N-(1-phenylethyl)acetamide
CID 86229489
N'-benzyl-N-tert-butyl-N'-propan-2-yloxamide
CID 108503369
2-[benzyl-(2-phenylacetyl)amino]-N-(3-methylbutyl)propanamide
CID 133148978
2-[(4-bromophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-tert-butylpropanamide
CID 133232735

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-phenylacetyl)amino]-N,N'-ditert-butylpropanediamide?
The IUPAC name of 2-[benzyl-(2-phenylacetyl)amino]-N,N'-ditert-butylpropanediamide (CID 11004638) is 2-[benzyl-(2-phenylacetyl)amino]-N,N'-ditert-butylpropanediamide.
What is the SMILES notation for 2-[benzyl-(2-phenylacetyl)amino]-N,N'-ditert-butylpropanediamide?
The canonical SMILES for 2-[benzyl-(2-phenylacetyl)amino]-N,N'-ditert-butylpropanediamide is CC(C)(C)NC(=O)C(C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-(2-phenylacetyl)amino]-N,N'-ditert-butylpropanediamide?
The InChIKey is CUDVAFXKKOSFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-25(2,3)27-23(31)22(24(32)28-26(4,5)6)29(18-20-15-11-8-12-16-20)21(30)17-19-13-9-7-10-14-19/h7-16,22H,17-18H2,1-6H3,(H,27,31)(H,28,32).
What are the key properties of 2-[benzyl-(2-phenylacetyl)amino]-N,N'-ditert-butylpropanediamide?
2-[benzyl-(2-phenylacetyl)amino]-N,N'-ditert-butylpropanediamide has a molecular weight of 437.58 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-phenylacetyl)amino]-N,N'-ditert-butylpropanediamide is sourced from PubChem (CID 11004638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).