N-[4-[[benzyl(propyl)amino]methyl]phenyl]-2-phenylacetamide

C25H28N2O — CID 166633000

IUPACN-[4-[[benzyl(propyl)amino]methyl]phenyl]-2-phenylacetamide
SMILESCCCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C25H28N2O/c1-2-17-27(19-22-11-7-4-8-12-22)20-23-13-15-24(16-14-23)26-25(28)18-21-9-5-3-6-10-21/h3-16H,2,17-20H2,1H3,(H,26,28)
InChIKeyZLJMFYWHEGUBNB-UHFFFAOYSA-N
MW372.51 g/mol
LogP5.28
Rot. Bonds9

About N-[4-[[benzyl(propyl)amino]methyl]phenyl]-2-phenylacetamide

N-[4-[[benzyl(propyl)amino]methyl]phenyl]-2-phenylacetamide (PubChem CID 166633000) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[4-[[benzyl(propyl)amino]methyl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[[benzyl(propyl)amino]methyl]phenyl]-2-phenylacetamide
PubChem CID166633000
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC NameN-[4-[[benzyl(propyl)amino]methyl]phenyl]-2-phenylacetamide
SMILESCCCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C25H28N2O/c1-2-17-27(19-22-11-7-4-8-12-22)20-23-13-15-24(16-14-23)26-25(28)18-21-9-5-3-6-10-21/h3-16H,2,17-20H2,1H3,(H,26,28)
InChIKeyZLJMFYWHEGUBNB-UHFFFAOYSA-N
XLogP5.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(diethylaminomethyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 100516184
2-phenyl-N-(4-propylphenyl)acetamide
CID 126501660
ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 123587423
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
N,N-dibenzylpropan-1-amine
CID 10840212
N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
2-[benzyl(propyl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 29233711
2-(dibenzylamino)-N-(4-methylphenyl)acetamide
CID 18870817
3-(dipropylamino)-N-phenylpropanamide
CID 52579960
N-[4-(2-bromoethyl)phenyl]-2-phenylacetamide
CID 114310172
N-[4-(tert-butylamino)phenyl]-2-phenylacetamide
CID 112984887

Frequently Asked Questions

What is the IUPAC name of N-[4-[[benzyl(propyl)amino]methyl]phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-[[benzyl(propyl)amino]methyl]phenyl]-2-phenylacetamide (CID 166633000) is N-[4-[[benzyl(propyl)amino]methyl]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[[benzyl(propyl)amino]methyl]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[[benzyl(propyl)amino]methyl]phenyl]-2-phenylacetamide is CCCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[4-[[benzyl(propyl)amino]methyl]phenyl]-2-phenylacetamide?
The InChIKey is ZLJMFYWHEGUBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-2-17-27(19-22-11-7-4-8-12-22)20-23-13-15-24(16-14-23)26-25(28)18-21-9-5-3-6-10-21/h3-16H,2,17-20H2,1H3,(H,26,28).
What are the key properties of N-[4-[[benzyl(propyl)amino]methyl]phenyl]-2-phenylacetamide?
N-[4-[[benzyl(propyl)amino]methyl]phenyl]-2-phenylacetamide has a molecular weight of 372.51 g/mol, XLogP of 5.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[benzyl(propyl)amino]methyl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 166633000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).