N-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide

C18H20N2O2 — CID 17454431

IUPACN-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide
SMILESCN(C)c1ccc(NC(=O)CCC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O2/c1-20(2)16-10-8-15(9-11-16)19-18(22)13-12-17(21)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,19,22)
InChIKeyBYCRGXDYVHTKQO-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.35
Rot. Bonds6

About N-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide

N-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide (PubChem CID 17454431) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide
PubChem CID17454431
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide
SMILESCN(C)c1ccc(NC(=O)CCC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O2/c1-20(2)16-10-8-15(9-11-16)19-18(22)13-12-17(21)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,19,22)
InChIKeyBYCRGXDYVHTKQO-UHFFFAOYSA-N
XLogP3.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-N,4-diphenylbutanamide
CID 825307
N-[4-(dimethylamino)phenyl]-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110424715
N-[4-(dimethylamino)phenyl]-3-phenylpropanamide
CID 874810
N-methyl-4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9164611
4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9441934
N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110606227
N-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide
CID 17418766
N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenylacetamide
CID 112988673
N-[4-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79192606
N-(3-methylphenyl)-4-oxo-4-phenylbutanamide
CID 7779680

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide (CID 17454431) is N-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide is CN(C)c1ccc(NC(=O)CCC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide?
The InChIKey is BYCRGXDYVHTKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-20(2)16-10-8-15(9-11-16)19-18(22)13-12-17(21)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,19,22).
What are the key properties of N-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide?
N-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide has a molecular weight of 296.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 17454431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).