3-(2-aminophenyl)-N-(2-morpholin-4-yl-1-phenylethyl)propanamide;dihydrochloride

C21H29Cl2N3O2 — CID 120612134

IUPAC3-(2-aminophenyl)-N-(2-morpholin-4-yl-1-phenylethyl)propanamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1CCC(=O)NC(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C21H27N3O2.2ClH/c22-19-9-5-4-6-17(19)10-11-21(25)23-20(18-7-2-1-3-8-18)16-24-12-14-26-15-13-24;;/h1-9,20H,10-16,22H2,(H,23,25);2*1H
InChIKeySGWMYTLWZLUTEL-UHFFFAOYSA-N
MW426.39 g/mol
LogP3.23
Rot. Bonds7

About 3-(2-aminophenyl)-N-(2-morpholin-4-yl-1-phenylethyl)propanamide;dihydrochloride

3-(2-aminophenyl)-N-(2-morpholin-4-yl-1-phenylethyl)propanamide;dihydrochloride (PubChem CID 120612134) has the molecular formula C21H29Cl2N3O2 and a molecular weight of 426.39 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(2-morpholin-4-yl-1-phenylethyl)propanamide;dihydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(2-morpholin-4-yl-1-phenylethyl)propanamide;dihydrochloride
PubChem CID120612134
Molecular FormulaC21H29Cl2N3O2
Molecular Weight426.39 g/mol
Exact Mass425.16
IUPAC Name3-(2-aminophenyl)-N-(2-morpholin-4-yl-1-phenylethyl)propanamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1CCC(=O)NC(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C21H27N3O2.2ClH/c22-19-9-5-4-6-17(19)10-11-21(25)23-20(18-7-2-1-3-8-18)16-24-12-14-26-15-13-24;;/h1-9,20H,10-16,22H2,(H,23,25);2*1H
InChIKeySGWMYTLWZLUTEL-UHFFFAOYSA-N
XLogP3.23
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide;dihydrochloride
CID 119835989
3-(2,4-dimethylphenyl)-N-(2-morpholin-4-yl-1-phenylethyl)propanamide
CID 24649384
7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide
CID 119835990
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide
CID 9149359
4-(methylamino)-N-(2-morpholin-4-yl-1-phenylethyl)butanamide;dihydrochloride
CID 119835993
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
N-(2-morpholin-4-yl-1-phenylethyl)-2-naphthalen-1-ylacetamide
CID 18166740
2-[3-oxo-3-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propyl]benzoic acid
CID 57078839
3-(2-aminophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
CID 120612232
4-(4-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-4-oxobutanamide
CID 9148546
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]propanamide
CID 9150677
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]propanamide
CID 9150689

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(2-morpholin-4-yl-1-phenylethyl)propanamide;dihydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-(2-morpholin-4-yl-1-phenylethyl)propanamide;dihydrochloride (CID 120612134) is 3-(2-aminophenyl)-N-(2-morpholin-4-yl-1-phenylethyl)propanamide;dihydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-(2-morpholin-4-yl-1-phenylethyl)propanamide;dihydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-(2-morpholin-4-yl-1-phenylethyl)propanamide;dihydrochloride is Cl.Cl.Nc1ccccc1CCC(=O)NC(CN1CCOCC1)c1ccccc1.
What is the InChIKey of 3-(2-aminophenyl)-N-(2-morpholin-4-yl-1-phenylethyl)propanamide;dihydrochloride?
The InChIKey is SGWMYTLWZLUTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.2ClH/c22-19-9-5-4-6-17(19)10-11-21(25)23-20(18-7-2-1-3-8-18)16-24-12-14-26-15-13-24;;/h1-9,20H,10-16,22H2,(H,23,25);2*1H.
What are the key properties of 3-(2-aminophenyl)-N-(2-morpholin-4-yl-1-phenylethyl)propanamide;dihydrochloride?
3-(2-aminophenyl)-N-(2-morpholin-4-yl-1-phenylethyl)propanamide;dihydrochloride has a molecular weight of 426.39 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(2-morpholin-4-yl-1-phenylethyl)propanamide;dihydrochloride is sourced from PubChem (CID 120612134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).