2-(4-aminophenyl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide;dihydrochloride

C21H29Cl2N3O3 — CID 119865216

IUPAC2-(4-aminophenyl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(CC(=O)NCc2ccccc2OCCN2CCOCC2)cc1
InChIInChI=1S/C21H27N3O3.2ClH/c22-19-7-5-17(6-8-19)15-21(25)23-16-18-3-1-2-4-20(18)27-14-11-24-9-12-26-13-10-24;;/h1-8H,9-16,22H2,(H,23,25);2*1H
InChIKeyXQBUYTWKCNCRED-UHFFFAOYSA-N
MW442.39 g/mol
LogP2.68
Rot. Bonds8

About 2-(4-aminophenyl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide;dihydrochloride

2-(4-aminophenyl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide;dihydrochloride (PubChem CID 119865216) has the molecular formula C21H29Cl2N3O3 and a molecular weight of 442.39 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide;dihydrochloride
PubChem CID119865216
Molecular FormulaC21H29Cl2N3O3
Molecular Weight442.39 g/mol
Exact Mass441.16
IUPAC Name2-(4-aminophenyl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(CC(=O)NCc2ccccc2OCCN2CCOCC2)cc1
InChIInChI=1S/C21H27N3O3.2ClH/c22-19-7-5-17(6-8-19)15-21(25)23-16-18-3-1-2-4-20(18)27-14-11-24-9-12-26-13-10-24;;/h1-8H,9-16,22H2,(H,23,25);2*1H
InChIKeyXQBUYTWKCNCRED-UHFFFAOYSA-N
XLogP2.68
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide;dihydrochloride
CID 119946846
3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
CID 119865260
1-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 119865229
(2S)-2-amino-4-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pentanamide
CID 119865271
2-indol-1-yl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide
CID 86859991
3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 119865223
2-(4-aminophenyl)-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide
CID 119759010
(2S,5R)-5-(aminomethyl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]oxolane-2-carboxamide
CID 120799128
2-(4-aminophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide
CID 119848368
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111217393
(2R,3S)-2-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-3-carboxamide;dihydrochloride
CID 120940171
1-(3-methoxypropyl)-2-methyl-3-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 110973903

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide;dihydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide;dihydrochloride (CID 119865216) is 2-(4-aminophenyl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide;dihydrochloride is Cl.Cl.Nc1ccc(CC(=O)NCc2ccccc2OCCN2CCOCC2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide;dihydrochloride?
The InChIKey is XQBUYTWKCNCRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3.2ClH/c22-19-7-5-17(6-8-19)15-21(25)23-16-18-3-1-2-4-20(18)27-14-11-24-9-12-26-13-10-24;;/h1-8H,9-16,22H2,(H,23,25);2*1H.
What are the key properties of 2-(4-aminophenyl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide;dihydrochloride?
2-(4-aminophenyl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide;dihydrochloride has a molecular weight of 442.39 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide;dihydrochloride is sourced from PubChem (CID 119865216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).