3-(2-aminophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride

C21H28Cl2N4O3 — CID 120612232

IUPAC3-(2-aminophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1CCC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C21H26N4O3.2ClH/c22-19-4-2-1-3-16(19)5-10-20(26)23-17-6-8-18(9-7-17)24-21(27)15-25-11-13-28-14-12-25;;/h1-4,6-9H,5,10-15,22H2,(H,23,26)(H,24,27);2*1H
InChIKeyNXEWVTKCXMZATG-UHFFFAOYSA-N
MW455.39 g/mol
LogP2.95
Rot. Bonds7

About 3-(2-aminophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride

3-(2-aminophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride (PubChem CID 120612232) has the molecular formula C21H28Cl2N4O3 and a molecular weight of 455.39 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
PubChem CID120612232
Molecular FormulaC21H28Cl2N4O3
Molecular Weight455.39 g/mol
Exact Mass454.15
IUPAC Name3-(2-aminophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1CCC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C21H26N4O3.2ClH/c22-19-4-2-1-3-16(19)5-10-20(26)23-17-6-8-18(9-7-17)24-21(27)15-25-11-13-28-14-12-25;;/h1-4,6-9H,5,10-15,22H2,(H,23,26)(H,24,27);2*1H
InChIKeyNXEWVTKCXMZATG-UHFFFAOYSA-N
XLogP2.95
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.39
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide;hydrochloride
CID 120608729
3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
CID 119840811
4-[3-(2-aminophenyl)propanoylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 120612721
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
3-(4-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 37154032
2-(2-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 51327232
3-(2-aminophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 120608564
3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 28713936
3-(2-aminophenyl)-N-(2-morpholin-4-yl-1-phenylethyl)propanamide;dihydrochloride
CID 120612134
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2,2-diphenylacetamide
CID 16612010
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
N-(4-iodophenyl)-2-morpholin-4-ylacetamide
CID 677187

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride (CID 120612232) is 3-(2-aminophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride is Cl.Cl.Nc1ccccc1CCC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1.
What is the InChIKey of 3-(2-aminophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride?
The InChIKey is NXEWVTKCXMZATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3.2ClH/c22-19-4-2-1-3-16(19)5-10-20(26)23-17-6-8-18(9-7-17)24-21(27)15-25-11-13-28-14-12-25;;/h1-4,6-9H,5,10-15,22H2,(H,23,26)(H,24,27);2*1H.
What are the key properties of 3-(2-aminophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride?
3-(2-aminophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride has a molecular weight of 455.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride is sourced from PubChem (CID 120612232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).