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

C23H33Cl2N3O2 — CID 119849677

IUPAC3-amino-2-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride
SMILESCc1cccc(C(CNC(=O)C(C)C(N)c2ccccc2)N2CCOCC2)c1.Cl.Cl
InChIInChI=1S/C23H31N3O2.2ClH/c1-17-7-6-10-20(15-17)21(26-11-13-28-14-12-26)16-25-23(27)18(2)22(24)19-8-4-3-5-9-19;;/h3-10,15,18,21-22H,11-14,16,24H2,1-2H3,(H,25,27);2*1H
InChIKeyFOFDKRHTOJKYOU-UHFFFAOYSA-N
MW454.44 g/mol
LogP3.66
Rot. Bonds7

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

3-amino-2-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119849677) has the molecular formula C23H33Cl2N3O2 and a molecular weight of 454.44 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119849677
Molecular FormulaC23H33Cl2N3O2
Molecular Weight454.44 g/mol
Exact Mass453.19
IUPAC Name3-amino-2-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride
SMILESCc1cccc(C(CNC(=O)C(C)C(N)c2ccccc2)N2CCOCC2)c1.Cl.Cl
InChIInChI=1S/C23H31N3O2.2ClH/c1-17-7-6-10-20(15-17)21(26-11-13-28-14-12-26)16-25-23(27)18(2)22(24)19-8-4-3-5-9-19;;/h3-10,15,18,21-22H,11-14,16,24H2,1-2H3,(H,25,27);2*1H
InChIKeyFOFDKRHTOJKYOU-UHFFFAOYSA-N
XLogP3.66
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 119849688
3-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119837767
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride
CID 154856473
1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 110304148
(2S)-2-amino-3,3-dimethyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide
CID 119853237
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide
CID 110623787
N'-(4-aminophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 166237377
2-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 112506492
2-amino-N-(2-morpholin-4-yl-2-phenylethyl)-3-phenylpropanamide;dihydrochloride
CID 119853212
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119849719
2-(dimethylamino)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-phenylacetamide
CID 110621774
3-methyl-N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-5-carboxamide
CID 39226854

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-2-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride (CID 119849677) is 3-amino-2-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride is Cc1cccc(C(CNC(=O)C(C)C(N)c2ccccc2)N2CCOCC2)c1.Cl.Cl.
What is the InChIKey of 3-amino-2-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is FOFDKRHTOJKYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2.2ClH/c1-17-7-6-10-20(15-17)21(26-11-13-28-14-12-26)16-25-23(27)18(2)22(24)19-8-4-3-5-9-19;;/h3-10,15,18,21-22H,11-14,16,24H2,1-2H3,(H,25,27);2*1H.
What are the key properties of 3-amino-2-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride?
3-amino-2-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 454.44 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119849677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).