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

C20H27ClN2O4 — CID 117068489

IUPACN-[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]ethoxy]phenyl]acetamide;hydrochloride
SMILESCOc1ccc(CCNCCOc2ccc(NC(C)=O)cc2)cc1OC.Cl
InChIInChI=1S/C20H26N2O4.ClH/c1-15(23)22-17-5-7-18(8-6-17)26-13-12-21-11-10-16-4-9-19(24-2)20(14-16)25-3;/h4-9,14,21H,10-13H2,1-3H3,(H,22,23);1H
InChIKeyYUOLNQZMAPQSFF-UHFFFAOYSA-N
MW394.90 g/mol
LogP3.30
Rot. Bonds10

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

N-[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]ethoxy]phenyl]acetamide;hydrochloride (PubChem CID 117068489) has the molecular formula C20H27ClN2O4 and a molecular weight of 394.90 g/mol. Its IUPAC name is N-[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]ethoxy]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]ethoxy]phenyl]acetamide;hydrochloride
PubChem CID117068489
Molecular FormulaC20H27ClN2O4
Molecular Weight394.90 g/mol
Exact Mass394.17
IUPAC NameN-[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]ethoxy]phenyl]acetamide;hydrochloride
SMILESCOc1ccc(CCNCCOc2ccc(NC(C)=O)cc2)cc1OC.Cl
InChIInChI=1S/C20H26N2O4.ClH/c1-15(23)22-17-5-7-18(8-6-17)26-13-12-21-11-10-16-4-9-19(24-2)20(14-16)25-3;/h4-9,14,21H,10-13H2,1-3H3,(H,22,23);1H
InChIKeyYUOLNQZMAPQSFF-UHFFFAOYSA-N
XLogP3.30
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]acetamide
CID 112984068
2-[4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]phenoxy]ethanol;hydrochloride
CID 17213243
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 19220649
N-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110423899
N-[4-[2-(ethylamino)ethoxy]phenyl]acetamide
CID 103074267
3-[3-[4-[3-(3,4-dimethoxyphenyl)propoxy]phenyl]propylamino]propanoic acid
CID 23121193
(2S)-2-amino-N-[4-[2-(3,4-dimethoxyphenyl)ethoxy]phenyl]-3-hydroxy-2-methylpropanamide
CID 11610457
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
4-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)butanamide
CID 110422258
(2S)-4-(4-acetamidoanilino)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxobutanoic acid
CID 41397604
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 40824439

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]ethoxy]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]ethoxy]phenyl]acetamide;hydrochloride (CID 117068489) is N-[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]ethoxy]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]ethoxy]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]ethoxy]phenyl]acetamide;hydrochloride is COc1ccc(CCNCCOc2ccc(NC(C)=O)cc2)cc1OC.Cl.
What is the InChIKey of N-[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]ethoxy]phenyl]acetamide;hydrochloride?
The InChIKey is YUOLNQZMAPQSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4.ClH/c1-15(23)22-17-5-7-18(8-6-17)26-13-12-21-11-10-16-4-9-19(24-2)20(14-16)25-3;/h4-9,14,21H,10-13H2,1-3H3,(H,22,23);1H.
What are the key properties of N-[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]ethoxy]phenyl]acetamide;hydrochloride?
N-[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]ethoxy]phenyl]acetamide;hydrochloride has a molecular weight of 394.90 g/mol, XLogP of 3.30, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]ethoxy]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 117068489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).