2-(4-aminophenyl)-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)acetamide;dihydrochloride

C22H31Cl2N3O2 — CID 119877064

IUPAC2-(4-aminophenyl)-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)acetamide;dihydrochloride
SMILESCC(CN1CCOCC1)N(Cc1ccccc1)C(=O)Cc1ccc(N)cc1.Cl.Cl
InChIInChI=1S/C22H29N3O2.2ClH/c1-18(16-24-11-13-27-14-12-24)25(17-20-5-3-2-4-6-20)22(26)15-19-7-9-21(23)10-8-19;;/h2-10,18H,11-17,23H2,1H3;2*1H
InChIKeyPLYLAXQVMNUVCW-UHFFFAOYSA-N
MW440.42 g/mol
LogP3.40
Rot. Bonds7

About 2-(4-aminophenyl)-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)acetamide;dihydrochloride

2-(4-aminophenyl)-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)acetamide;dihydrochloride (PubChem CID 119877064) has the molecular formula C22H31Cl2N3O2 and a molecular weight of 440.42 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)acetamide;dihydrochloride
PubChem CID119877064
Molecular FormulaC22H31Cl2N3O2
Molecular Weight440.42 g/mol
Exact Mass439.18
IUPAC Name2-(4-aminophenyl)-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)acetamide;dihydrochloride
SMILESCC(CN1CCOCC1)N(Cc1ccccc1)C(=O)Cc1ccc(N)cc1.Cl.Cl
InChIInChI=1S/C22H29N3O2.2ClH/c1-18(16-24-11-13-27-14-12-24)25(17-20-5-3-2-4-6-20)22(26)15-19-7-9-21(23)10-8-19;;/h2-10,18H,11-17,23H2,1H3;2*1H
InChIKeyPLYLAXQVMNUVCW-UHFFFAOYSA-N
XLogP3.40
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-(4-sulfamoylphenyl)acetamide
CID 56581067
N-benzyl-2-(4-ethoxyphenyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 56500857
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 56500713
2-[4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-2-oxoethoxy]phenyl]acetamide
CID 56500698
N-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 119877069
2-amino-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 119877071
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 56501375
N-benzyl-2-[(2-chlorophenyl)methoxy]-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 56501629
N-benzyl-4-(methylsulfonylmethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56500850
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-phenoxypropanamide
CID 56500998
N-benzyl-2-(2-ethylbenzimidazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 56500579
N-benzyl-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 56501103

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)acetamide;dihydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)acetamide;dihydrochloride (CID 119877064) is 2-(4-aminophenyl)-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)acetamide;dihydrochloride is CC(CN1CCOCC1)N(Cc1ccccc1)C(=O)Cc1ccc(N)cc1.Cl.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)acetamide;dihydrochloride?
The InChIKey is PLYLAXQVMNUVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2.2ClH/c1-18(16-24-11-13-27-14-12-24)25(17-20-5-3-2-4-6-20)22(26)15-19-7-9-21(23)10-8-19;;/h2-10,18H,11-17,23H2,1H3;2*1H.
What are the key properties of 2-(4-aminophenyl)-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)acetamide;dihydrochloride?
2-(4-aminophenyl)-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)acetamide;dihydrochloride has a molecular weight of 440.42 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)acetamide;dihydrochloride is sourced from PubChem (CID 119877064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).