N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]acetamide

C18H22N2O3 — CID 112984068

IUPACN-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]acetamide
SMILESCOc1ccc(CCNc2ccc(NC(C)=O)cc2)cc1OC
InChIInChI=1S/C18H22N2O3/c1-13(21)20-16-7-5-15(6-8-16)19-11-10-14-4-9-17(22-2)18(12-14)23-3/h4-9,12,19H,10-11H2,1-3H3,(H,20,21)
InChIKeyILLUSYOSACVSAD-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.32
Rot. Bonds7

About N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]acetamide

N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]acetamide (PubChem CID 112984068) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]acetamide
PubChem CID112984068
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]acetamide
SMILESCOc1ccc(CCNc2ccc(NC(C)=O)cc2)cc1OC
InChIInChI=1S/C18H22N2O3/c1-13(21)20-16-7-5-15(6-8-16)19-11-10-14-4-9-17(22-2)18(12-14)23-3/h4-9,12,19H,10-11H2,1-3H3,(H,20,21)
InChIKeyILLUSYOSACVSAD-UHFFFAOYSA-N
XLogP3.32
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]-3-methylbutanamide
CID 112984074
N-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110423899
N-[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]ethoxy]phenyl]acetamide;hydrochloride
CID 117068489
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
(E)-3-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 31254061
(2S)-4-(4-acetamidoanilino)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxobutanoic acid
CID 41397604
N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]ethanesulfonamide
CID 112984101
N-[4-[2-[[N-[(3,4-dimethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]phenyl]acetamide
CID 111200358
N-[4-[2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111214640
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109237774
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 109261372
N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]acetamide
CID 112983436

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]acetamide?
The IUPAC name of N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]acetamide (CID 112984068) is N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]acetamide is COc1ccc(CCNc2ccc(NC(C)=O)cc2)cc1OC.
What is the InChIKey of N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]acetamide?
The InChIKey is ILLUSYOSACVSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13(21)20-16-7-5-15(6-8-16)19-11-10-14-4-9-17(22-2)18(12-14)23-3/h4-9,12,19H,10-11H2,1-3H3,(H,20,21).
What are the key properties of N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]acetamide?
N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]acetamide has a molecular weight of 314.39 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]acetamide is sourced from PubChem (CID 112984068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).