N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide

C20H26N2O3 — CID 109022424

IUPACN-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
SMILESCOc1ccc(CCNC(=O)CCNCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26N2O3/c1-24-18-7-3-16(4-8-18)11-14-22-20(23)12-13-21-15-17-5-9-19(25-2)10-6-17/h3-10,21H,11-15H2,1-2H3,(H,22,23)
InChIKeyRNNZFRKBOFWZSL-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.54
Rot. Bonds10

About N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide

N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide (PubChem CID 109022424) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
PubChem CID109022424
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
SMILESCOc1ccc(CCNC(=O)CCNCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26N2O3/c1-24-18-7-3-16(4-8-18)11-14-22-20(23)12-13-21-15-17-5-9-19(25-2)10-6-17/h3-10,21H,11-15H2,1-2H3,(H,22,23)
InChIKeyRNNZFRKBOFWZSL-UHFFFAOYSA-N
XLogP2.54
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.54
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

N-[2-(4-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022421
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022433
N-butyl-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109012203
3-acetamido-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 8896928
3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 109021164
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022434
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 3613637
3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 110688954
N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxohexanamide
CID 166676905

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide (CID 109022424) is N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide is COc1ccc(CCNC(=O)CCNCc2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide?
The InChIKey is RNNZFRKBOFWZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-24-18-7-3-16(4-8-18)11-14-22-20(23)12-13-21-15-17-5-9-19(25-2)10-6-17/h3-10,21H,11-15H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide?
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide has a molecular weight of 342.44 g/mol, XLogP of 2.54, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 109022424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).