2-(4-butoxyphenoxy)-N-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride

C26H39ClN2O4 — CID 21119882

IUPAC2-(4-butoxyphenoxy)-N-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
SMILESCCCCOc1ccc(OCC(=O)N(CCN(CC)CC)Cc2cccc(OC)c2)cc1.Cl
InChIInChI=1S/C26H38N2O4.ClH/c1-5-8-18-31-23-12-14-24(15-13-23)32-21-26(29)28(17-16-27(6-2)7-3)20-22-10-9-11-25(19-22)30-4;/h9-15,19H,5-8,16-18,20-21H2,1-4H3;1H
InChIKeyORFKXLJVUPIDOH-UHFFFAOYSA-N
MW479.06 g/mol
LogP5.05
Rot. Bonds15

About 2-(4-butoxyphenoxy)-N-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride

2-(4-butoxyphenoxy)-N-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride (PubChem CID 21119882) has the molecular formula C26H39ClN2O4 and a molecular weight of 479.06 g/mol. Its IUPAC name is 2-(4-butoxyphenoxy)-N-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-butoxyphenoxy)-N-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
PubChem CID21119882
Molecular FormulaC26H39ClN2O4
Molecular Weight479.06 g/mol
Exact Mass478.26
IUPAC Name2-(4-butoxyphenoxy)-N-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
SMILESCCCCOc1ccc(OCC(=O)N(CCN(CC)CC)Cc2cccc(OC)c2)cc1.Cl
InChIInChI=1S/C26H38N2O4.ClH/c1-5-8-18-31-23-12-14-24(15-13-23)32-21-26(29)28(17-16-27(6-2)7-3)20-22-10-9-11-25(19-22)30-4;/h9-15,19H,5-8,16-18,20-21H2,1-4H3;1H
InChIKeyORFKXLJVUPIDOH-UHFFFAOYSA-N
XLogP5.05
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.06
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butoxyphenoxy)-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 21119889
2-(4-ethoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 84601116
2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272
2-[butyl(ethyl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 86910816
2-chloro-N-[(3-methoxyphenyl)methyl]-N-propylacetamide
CID 39357859
N-butyl-2-[(3-methoxyphenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]butanamide
CID 132710477
(2R)-N-butyl-2-[(3-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenylpropanamide
CID 100706391
N-(2-aminoethyl)-N-ethyl-2-(3-methoxyphenoxy)acetamide
CID 82354386
1-(diethylamino)-6-(3-methoxyphenyl)hexan-3-one;nitroxyl
CID 86733483
N,N-dibutyl-2-phenoxyacetamide
CID 4074500
N,N-diethyl-2-(3-methoxyphenyl)ethanamine
CID 69380986
azane;3-[3-(3-decoxyphenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]propylphosphonic acid
CID 175900304

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenoxy)-N-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-butoxyphenoxy)-N-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride (CID 21119882) is 2-(4-butoxyphenoxy)-N-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-butoxyphenoxy)-N-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-butoxyphenoxy)-N-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride is CCCCOc1ccc(OCC(=O)N(CCN(CC)CC)Cc2cccc(OC)c2)cc1.Cl.
What is the InChIKey of 2-(4-butoxyphenoxy)-N-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride?
The InChIKey is ORFKXLJVUPIDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O4.ClH/c1-5-8-18-31-23-12-14-24(15-13-23)32-21-26(29)28(17-16-27(6-2)7-3)20-22-10-9-11-25(19-22)30-4;/h9-15,19H,5-8,16-18,20-21H2,1-4H3;1H.
What are the key properties of 2-(4-butoxyphenoxy)-N-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride?
2-(4-butoxyphenoxy)-N-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride has a molecular weight of 479.06 g/mol, XLogP of 5.05, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenoxy)-N-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 21119882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).