2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride

C21H28Cl3N3O2 — CID 119867130

IUPAC2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride
SMILESCl.Cl.NC(Cc1ccccc1)C(=O)NCC(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C21H26ClN3O2.2ClH/c22-18-8-6-17(7-9-18)20(25-10-12-27-13-11-25)15-24-21(26)19(23)14-16-4-2-1-3-5-16;;/h1-9,19-20H,10-15,23H2,(H,24,26);2*1H
InChIKeyCDMRIBYUANFGSM-UHFFFAOYSA-N
MW460.83 g/mol
LogP3.24
Rot. Bonds7

About 2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride

2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119867130) has the molecular formula C21H28Cl3N3O2 and a molecular weight of 460.83 g/mol. Its IUPAC name is 2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119867130
Molecular FormulaC21H28Cl3N3O2
Molecular Weight460.83 g/mol
Exact Mass459.12
IUPAC Name2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride
SMILESCl.Cl.NC(Cc1ccccc1)C(=O)NCC(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C21H26ClN3O2.2ClH/c22-18-8-6-17(7-9-18)20(25-10-12-27-13-11-25)15-24-21(26)19(23)14-16-4-2-1-3-5-16;;/h1-9,19-20H,10-15,23H2,(H,24,26);2*1H
InChIKeyCDMRIBYUANFGSM-UHFFFAOYSA-N
XLogP3.24
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.83
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-morpholin-4-yl-2-phenylethyl)-3-phenylpropanamide;dihydrochloride
CID 119853212
(2R)-2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 119867147
1-[(4-chlorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 42890774
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119867154
(2S)-2-amino-3,3-dimethyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide
CID 119853237
(E)-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-phenylprop-2-enamide
CID 110302697
2-amino-N-(2-methyl-3-morpholin-4-ylpropyl)-3-phenylpropanamide;dihydrochloride
CID 119868997
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56512944
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
2-amino-N-(2-morpholin-4-yl-2-phenylethyl)-2-(oxan-4-yl)acetamide
CID 120798354
2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 119867125

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride (CID 119867130) is 2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride is Cl.Cl.NC(Cc1ccccc1)C(=O)NCC(c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of 2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is CDMRIBYUANFGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2.2ClH/c22-18-8-6-17(7-9-18)20(25-10-12-27-13-11-25)15-24-21(26)19(23)14-16-4-2-1-3-5-16;;/h1-9,19-20H,10-15,23H2,(H,24,26);2*1H.
What are the key properties of 2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride?
2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 460.83 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119867130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).