N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide

C19H24N2O — CID 16889411

IUPACN-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide
SMILESCN(C)c1ccc(CCNC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C19H24N2O/c1-21(2)18-11-8-17(9-12-18)14-15-20-19(22)13-10-16-6-4-3-5-7-16/h3-9,11-12H,10,13-15H2,1-2H3,(H,20,22)
InChIKeyNEHRJTVAQZURON-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.04
Rot. Bonds7

About N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide

N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide (PubChem CID 16889411) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide
PubChem CID16889411
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide
SMILESCN(C)c1ccc(CCNC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C19H24N2O/c1-21(2)18-11-8-17(9-12-18)14-15-20-19(22)13-10-16-6-4-3-5-7-16/h3-9,11-12H,10,13-15H2,1-2H3,(H,20,22)
InChIKeyNEHRJTVAQZURON-UHFFFAOYSA-N
XLogP3.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[3-[4-(dimethylamino)phenyl]propanoylamino]propanoic acid
CID 43354679
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 16889384
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)propanamide
CID 110627058
N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-3-phenylpropanamide
CID 113071298
3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide
CID 110464585
N-[4-(dimethylamino)phenyl]-3-phenylpropanamide
CID 874810
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
3-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)propanamide
CID 110464572
3-[4-(dimethylamino)phenyl]-N-(3-formamidopropyl)propanamide
CID 110464584
N-(2-amino-2-oxoethyl)-3-[4-(dimethylamino)phenyl]propanamide
CID 60717379
N-[2-(3-phenylpropanoylamino)ethyl]butanamide
CID 108573772
N-(2-bromoprop-2-enyl)-3-[4-(dimethylamino)phenyl]propanamide
CID 113227520

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide (CID 16889411) is N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide is CN(C)c1ccc(CCNC(=O)CCc2ccccc2)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide?
The InChIKey is NEHRJTVAQZURON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-21(2)18-11-8-17(9-12-18)14-15-20-19(22)13-10-16-6-4-3-5-7-16/h3-9,11-12H,10,13-15H2,1-2H3,(H,20,22).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide?
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide has a molecular weight of 296.41 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide is sourced from PubChem (CID 16889411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).