2-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide;dihydrochloride

C20H27Cl2N3O3 — CID 119946846

IUPAC2-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1C(=O)NCc1ccccc1OCCN1CCOCC1
InChIInChI=1S/C20H25N3O3.2ClH/c21-18-7-3-2-6-17(18)20(24)22-15-16-5-1-4-8-19(16)26-14-11-23-9-12-25-13-10-23;;/h1-8H,9-15,21H2,(H,22,24);2*1H
InChIKeyXHYNMTRWEMRPNF-UHFFFAOYSA-N
MW428.36 g/mol
LogP2.75
Rot. Bonds7

About 2-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide;dihydrochloride

2-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide;dihydrochloride (PubChem CID 119946846) has the molecular formula C20H27Cl2N3O3 and a molecular weight of 428.36 g/mol. Its IUPAC name is 2-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide;dihydrochloride
PubChem CID119946846
Molecular FormulaC20H27Cl2N3O3
Molecular Weight428.36 g/mol
Exact Mass427.14
IUPAC Name2-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1C(=O)NCc1ccccc1OCCN1CCOCC1
InChIInChI=1S/C20H25N3O3.2ClH/c21-18-7-3-2-6-17(18)20(24)22-15-16-5-1-4-8-19(16)26-14-11-23-9-12-25-13-10-23;;/h1-8H,9-15,21H2,(H,22,24);2*1H
InChIKeyXHYNMTRWEMRPNF-UHFFFAOYSA-N
XLogP2.75
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide;dihydrochloride
CID 119865216
(2S)-2-amino-4-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pentanamide
CID 119865271
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
3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 119865223
2-amino-N-[(2-ethoxyphenyl)methyl]benzamide
CID 134085720
2-indol-1-yl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide
CID 86859991
(2S,5R)-5-(aminomethyl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]oxolane-2-carboxamide
CID 120799128
2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
CID 118041363
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-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide;dihydrochloride?
The IUPAC name of 2-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide;dihydrochloride (CID 119946846) is 2-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide;dihydrochloride is Cl.Cl.Nc1ccccc1C(=O)NCc1ccccc1OCCN1CCOCC1.
What is the InChIKey of 2-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide;dihydrochloride?
The InChIKey is XHYNMTRWEMRPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3.2ClH/c21-18-7-3-2-6-17(18)20(24)22-15-16-5-1-4-8-19(16)26-14-11-23-9-12-25-13-10-23;;/h1-8H,9-15,21H2,(H,22,24);2*1H.
What are the key properties of 2-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide;dihydrochloride?
2-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide;dihydrochloride has a molecular weight of 428.36 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide;dihydrochloride is sourced from PubChem (CID 119946846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).