N-tert-butyl-2-[4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide;hydrochloride

C22H30Cl2N2O3 — CID 17208545

IUPACN-tert-butyl-2-[4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide;hydrochloride
SMILESCOc1cc(CNCCc2ccc(Cl)cc2)ccc1OCC(=O)NC(C)(C)C.Cl
InChIInChI=1S/C22H29ClN2O3.ClH/c1-22(2,3)25-21(26)15-28-19-10-7-17(13-20(19)27-4)14-24-12-11-16-5-8-18(23)9-6-16;/h5-10,13,24H,11-12,14-15H2,1-4H3,(H,25,26);1H
InChIKeyCVIIUJYDBPZRDI-UHFFFAOYSA-N
MW441.40 g/mol
LogP4.40
Rot. Bonds9

About N-tert-butyl-2-[4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide;hydrochloride

N-tert-butyl-2-[4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide;hydrochloride (PubChem CID 17208545) has the molecular formula C22H30Cl2N2O3 and a molecular weight of 441.40 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide;hydrochloride
PubChem CID17208545
Molecular FormulaC22H30Cl2N2O3
Molecular Weight441.40 g/mol
Exact Mass440.16
IUPAC NameN-tert-butyl-2-[4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide;hydrochloride
SMILESCOc1cc(CNCCc2ccc(Cl)cc2)ccc1OCC(=O)NC(C)(C)C.Cl
InChIInChI=1S/C22H29ClN2O3.ClH/c1-22(2,3)25-21(26)15-28-19-10-7-17(13-20(19)27-4)14-24-12-11-16-5-8-18(23)9-6-16;/h5-10,13,24H,11-12,14-15H2,1-4H3,(H,25,26);1H
InChIKeyCVIIUJYDBPZRDI-UHFFFAOYSA-N
XLogP4.40
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.40
LogP ≤ 54.40
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-tert-butyl-2-[2-methoxy-4-[[3-(methylamino)propylamino]methyl]phenoxy]acetamide
CID 4721018
N-tert-butyl-2-[5-chloro-4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide
CID 66529776
N-tert-butyl-2-[4-[[2-(2-hydroxypropylamino)ethylamino]methyl]-2-methoxyphenoxy]acetamide;dihydrochloride
CID 17295544
2-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine
CID 17208570
N-tert-butyl-2-[4-chloro-2-[[2-(4-fluorophenyl)ethylamino]methyl]phenoxy]acetamide
CID 17054171
N-tert-butyl-2-[4-[(3-chloro-4-methylanilino)methyl]-2-methoxyphenoxy]acetamide
CID 66525764
N-tert-butyl-2-[2-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290931
N-tert-butyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 17155997
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17289851
N-tert-butyl-2-[4-[(4-hydroxyanilino)methyl]-2-methoxyphenoxy]acetamide
CID 66525569
N-tert-butyl-2-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-methoxyphenoxy]acetamide;hydrochloride
CID 17295542
N-tert-butyl-2-[2-ethoxy-4-[[2-(2-fluorophenyl)ethylamino]methyl]phenoxy]acetamide;hydrochloride
CID 17293185

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide;hydrochloride?
The IUPAC name of N-tert-butyl-2-[4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide;hydrochloride (CID 17208545) is N-tert-butyl-2-[4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-tert-butyl-2-[4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide;hydrochloride?
The canonical SMILES for N-tert-butyl-2-[4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide;hydrochloride is COc1cc(CNCCc2ccc(Cl)cc2)ccc1OCC(=O)NC(C)(C)C.Cl.
What is the InChIKey of N-tert-butyl-2-[4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide;hydrochloride?
The InChIKey is CVIIUJYDBPZRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O3.ClH/c1-22(2,3)25-21(26)15-28-19-10-7-17(13-20(19)27-4)14-24-12-11-16-5-8-18(23)9-6-16;/h5-10,13,24H,11-12,14-15H2,1-4H3,(H,25,26);1H.
What are the key properties of N-tert-butyl-2-[4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide;hydrochloride?
N-tert-butyl-2-[4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide;hydrochloride has a molecular weight of 441.40 g/mol, XLogP of 4.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide;hydrochloride is sourced from PubChem (CID 17208545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).