3-[2-(4-methoxyphenyl)ethylamino]-N-(4-phenoxyphenyl)propanamide

C24H26N2O3 — CID 109025969

IUPAC3-[2-(4-methoxyphenyl)ethylamino]-N-(4-phenoxyphenyl)propanamide
SMILESCOc1ccc(CCNCCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C24H26N2O3/c1-28-21-11-7-19(8-12-21)15-17-25-18-16-24(27)26-20-9-13-23(14-10-20)29-22-5-3-2-4-6-22/h2-14,25H,15-18H2,1H3,(H,26,27)
InChIKeyUPOXNSHJYYACDL-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.65
Rot. Bonds10

About 3-[2-(4-methoxyphenyl)ethylamino]-N-(4-phenoxyphenyl)propanamide

3-[2-(4-methoxyphenyl)ethylamino]-N-(4-phenoxyphenyl)propanamide (PubChem CID 109025969) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)ethylamino]-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)ethylamino]-N-(4-phenoxyphenyl)propanamide
PubChem CID109025969
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name3-[2-(4-methoxyphenyl)ethylamino]-N-(4-phenoxyphenyl)propanamide
SMILESCOc1ccc(CCNCCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C24H26N2O3/c1-28-21-11-7-19(8-12-21)15-17-25-18-16-24(27)26-20-9-13-23(14-10-20)29-22-5-3-2-4-6-22/h2-14,25H,15-18H2,1H3,(H,26,27)
InChIKeyUPOXNSHJYYACDL-UHFFFAOYSA-N
XLogP4.65
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)propanamide
CID 109028071
N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide
CID 109039635
3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 109039699
2-[2-(4-methoxyphenyl)ethylamino]-4-oxo-4-(4-phenoxyanilino)butanoic acid
CID 4749709
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
N-(2,6-difluorophenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025996
N-[2-(4-methoxyphenyl)ethyl]-N'-phenylpropanediamide
CID 108948790
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 833180
3-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 109040495
N-tert-butyl-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025890
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
CID 108867012

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)ethylamino]-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of 3-[2-(4-methoxyphenyl)ethylamino]-N-(4-phenoxyphenyl)propanamide (CID 109025969) is 3-[2-(4-methoxyphenyl)ethylamino]-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)ethylamino]-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for 3-[2-(4-methoxyphenyl)ethylamino]-N-(4-phenoxyphenyl)propanamide is COc1ccc(CCNCCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)ethylamino]-N-(4-phenoxyphenyl)propanamide?
The InChIKey is UPOXNSHJYYACDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-28-21-11-7-19(8-12-21)15-17-25-18-16-24(27)26-20-9-13-23(14-10-20)29-22-5-3-2-4-6-22/h2-14,25H,15-18H2,1H3,(H,26,27).
What are the key properties of 3-[2-(4-methoxyphenyl)ethylamino]-N-(4-phenoxyphenyl)propanamide?
3-[2-(4-methoxyphenyl)ethylamino]-N-(4-phenoxyphenyl)propanamide has a molecular weight of 390.48 g/mol, XLogP of 4.65, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)ethylamino]-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 109025969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).