N-[4-(diethylamino)phenyl]-3-(4-ethoxyphenyl)propanamide

C21H28N2O2 — CID 19226078

IUPACN-[4-(diethylamino)phenyl]-3-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C21H28N2O2/c1-4-23(5-2)19-12-10-18(11-13-19)22-21(24)16-9-17-7-14-20(15-8-17)25-6-3/h7-8,10-15H,4-6,9,16H2,1-3H3,(H,22,24)
InChIKeyRXZZVTXZONCODI-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.50
Rot. Bonds9

About N-[4-(diethylamino)phenyl]-3-(4-ethoxyphenyl)propanamide

N-[4-(diethylamino)phenyl]-3-(4-ethoxyphenyl)propanamide (PubChem CID 19226078) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-3-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-3-(4-ethoxyphenyl)propanamide
PubChem CID19226078
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[4-(diethylamino)phenyl]-3-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C21H28N2O2/c1-4-23(5-2)19-12-10-18(11-13-19)22-21(24)16-9-17-7-14-20(15-8-17)25-6-3/h7-8,10-15H,4-6,9,16H2,1-3H3,(H,22,24)
InChIKeyRXZZVTXZONCODI-UHFFFAOYSA-N
XLogP4.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.50
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

3-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 19225956
N-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)propanamide
CID 19226004
N-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)propanoylamino]benzamide
CID 18279791
N-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide
CID 19226053
3-(3-amino-4-ethoxyphenyl)-N-(4-ethoxyphenyl)propanamide
CID 82153635
N-[4-(4-ethoxyphenoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55363172
1-[4-(diethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890846
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
3-[4-[3-(4-propoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252286
3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide
CID 116847579
N-(3-amino-4-methoxyphenyl)-3-(4-ethoxyphenyl)propanamide
CID 119419441
3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide
CID 39456651

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-3-(4-ethoxyphenyl)propanamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-3-(4-ethoxyphenyl)propanamide (CID 19226078) is N-[4-(diethylamino)phenyl]-3-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-3-(4-ethoxyphenyl)propanamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-3-(4-ethoxyphenyl)propanamide is CCOc1ccc(CCC(=O)Nc2ccc(N(CC)CC)cc2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-3-(4-ethoxyphenyl)propanamide?
The InChIKey is RXZZVTXZONCODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-4-23(5-2)19-12-10-18(11-13-19)22-21(24)16-9-17-7-14-20(15-8-17)25-6-3/h7-8,10-15H,4-6,9,16H2,1-3H3,(H,22,24).
What are the key properties of N-[4-(diethylamino)phenyl]-3-(4-ethoxyphenyl)propanamide?
N-[4-(diethylamino)phenyl]-3-(4-ethoxyphenyl)propanamide has a molecular weight of 340.47 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-3-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 19226078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).