2-amino-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-phenylpropanamide;dihydrochloride

C21H29Cl2N3O2 — CID 119836433

IUPAC2-amino-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-phenylpropanamide;dihydrochloride
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)C(N)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C21H27N3O2.2ClH/c1-23(21(25)19(22)15-17-7-3-2-4-8-17)16-18-9-5-6-10-20(18)24-11-13-26-14-12-24;;/h2-10,19H,11-16,22H2,1H3;2*1H
InChIKeyXQHNQFHABCOQNB-UHFFFAOYSA-N
MW426.39 g/mol
LogP2.90
Rot. Bonds6

About 2-amino-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-phenylpropanamide;dihydrochloride

2-amino-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119836433) has the molecular formula C21H29Cl2N3O2 and a molecular weight of 426.39 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119836433
Molecular FormulaC21H29Cl2N3O2
Molecular Weight426.39 g/mol
Exact Mass425.16
IUPAC Name2-amino-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-phenylpropanamide;dihydrochloride
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)C(N)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C21H27N3O2.2ClH/c1-23(21(25)19(22)15-17-7-3-2-4-8-17)16-18-9-5-6-10-20(18)24-11-13-26-14-12-24;;/h2-10,19H,11-16,22H2,1H3;2*1H
InChIKeyXQHNQFHABCOQNB-UHFFFAOYSA-N
XLogP2.90
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylbutanamide
CID 51925060
N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 55416261
N,2-dimethyl-3-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]propanamide;dihydrochloride
CID 119836461
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]furan-2-carboxamide
CID 38723309
2-amino-3-(2-morpholin-4-ylphenyl)propanoic acid
CID 23510312
4-(aminomethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 120938284
2-amino-N-methyl-N-(oxan-4-ylmethyl)-3-phenylpropanamide
CID 53409102
N-methyl-4-(methylsulfanylmethyl)-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 31645758
N-methyl-2-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 120703394
3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea
CID 38165863
1-hydroxy-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 110907045
2-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119331843

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-phenylpropanamide;dihydrochloride (CID 119836433) is 2-amino-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-phenylpropanamide;dihydrochloride is CN(Cc1ccccc1N1CCOCC1)C(=O)C(N)Cc1ccccc1.Cl.Cl.
What is the InChIKey of 2-amino-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is XQHNQFHABCOQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.2ClH/c1-23(21(25)19(22)15-17-7-3-2-4-8-17)16-18-9-5-6-10-20(18)24-11-13-26-14-12-24;;/h2-10,19H,11-16,22H2,1H3;2*1H.
What are the key properties of 2-amino-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-phenylpropanamide;dihydrochloride?
2-amino-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 426.39 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119836433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).