N-[4-(dimethylamino)phenyl]-3-phenylpropanamide

C17H20N2O — CID 874810

IUPACN-[4-(dimethylamino)phenyl]-3-phenylpropanamide
SMILESCN(C)c1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c1-19(2)16-11-9-15(10-12-16)18-17(20)13-8-14-6-4-3-5-7-14/h3-7,9-12H,8,13H2,1-2H3,(H,18,20)
InChIKeyLBESMIBYLPUDET-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.32
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-3-phenylpropanamide

N-[4-(dimethylamino)phenyl]-3-phenylpropanamide (PubChem CID 874810) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-phenylpropanamide
PubChem CID874810
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[4-(dimethylamino)phenyl]-3-phenylpropanamide
SMILESCN(C)c1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c1-19(2)16-11-9-15(10-12-16)18-17(20)13-8-14-6-4-3-5-7-14/h3-7,9-12H,8,13H2,1-2H3,(H,18,20)
InChIKeyLBESMIBYLPUDET-UHFFFAOYSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide
CID 42643106
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
4-[3-[4-(dimethylamino)anilino]-3-oxopropyl]-N-hydroxybenzamide
CID 142672672
N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenylacetamide
CID 112988673
3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 17233492
N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide
CID 16889411
N-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide
CID 17454431
N-[4-[[2-(dimethylamino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839252
N-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54820849

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-phenylpropanamide (CID 874810) is N-[4-(dimethylamino)phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-phenylpropanamide is CN(C)c1ccc(NC(=O)CCc2ccccc2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-phenylpropanamide?
The InChIKey is LBESMIBYLPUDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-19(2)16-11-9-15(10-12-16)18-17(20)13-8-14-6-4-3-5-7-14/h3-7,9-12H,8,13H2,1-2H3,(H,18,20).
What are the key properties of N-[4-(dimethylamino)phenyl]-3-phenylpropanamide?
N-[4-(dimethylamino)phenyl]-3-phenylpropanamide has a molecular weight of 268.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 874810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).