N-[4-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]phenyl]acetamide

C20H26N2O3 — CID 75383115

IUPACN-[4-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]phenyl]acetamide
SMILESCOc1ccc(C(C)NCCc2ccc(NC(C)=O)cc2)c(OC)c1
InChIInChI=1S/C20H26N2O3/c1-14(19-10-9-18(24-3)13-20(19)25-4)21-12-11-16-5-7-17(8-6-16)22-15(2)23/h5-10,13-14,21H,11-12H2,1-4H3,(H,22,23)
InChIKeyFTJRDCXACYXIDD-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.56
Rot. Bonds8

About N-[4-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]phenyl]acetamide

N-[4-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]phenyl]acetamide (PubChem CID 75383115) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[4-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]phenyl]acetamide
PubChem CID75383115
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[4-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]phenyl]acetamide
SMILESCOc1ccc(C(C)NCCc2ccc(NC(C)=O)cc2)c(OC)c1
InChIInChI=1S/C20H26N2O3/c1-14(19-10-9-18(24-3)13-20(19)25-4)21-12-11-16-5-7-17(8-6-16)22-15(2)23/h5-10,13-14,21H,11-12H2,1-4H3,(H,22,23)
InChIKeyFTJRDCXACYXIDD-UHFFFAOYSA-N
XLogP3.56
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]phenyl]acetamide (CID 75383115) is N-[4-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]phenyl]acetamide is COc1ccc(C(C)NCCc2ccc(NC(C)=O)cc2)c(OC)c1.
What is the InChIKey of N-[4-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]phenyl]acetamide?
The InChIKey is FTJRDCXACYXIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14(19-10-9-18(24-3)13-20(19)25-4)21-12-11-16-5-7-17(8-6-16)22-15(2)23/h5-10,13-14,21H,11-12H2,1-4H3,(H,22,23).
What are the key properties of N-[4-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]phenyl]acetamide?
N-[4-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]phenyl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]phenyl]acetamide is sourced from PubChem (CID 75383115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).