3-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride

C23H33Cl2N3O2 — CID 119864258

IUPAC3-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
SMILESCC1CN(Cc2cccc(CNC(=O)C(C)C(N)c3ccccc3)c2)CCO1.Cl.Cl
InChIInChI=1S/C23H31N3O2.2ClH/c1-17-15-26(11-12-28-17)16-20-8-6-7-19(13-20)14-25-23(27)18(2)22(24)21-9-4-3-5-10-21;;/h3-10,13,17-18,22H,11-12,14-16,24H2,1-2H3,(H,25,27);2*1H
InChIKeyJYPDRGNJMCKKAW-UHFFFAOYSA-N
MW454.44 g/mol
LogP3.70
Rot. Bonds7

About 3-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride

3-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119864258) has the molecular formula C23H33Cl2N3O2 and a molecular weight of 454.44 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119864258
Molecular FormulaC23H33Cl2N3O2
Molecular Weight454.44 g/mol
Exact Mass453.19
IUPAC Name3-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
SMILESCC1CN(Cc2cccc(CNC(=O)C(C)C(N)c3ccccc3)c2)CCO1.Cl.Cl
InChIInChI=1S/C23H31N3O2.2ClH/c1-17-15-26(11-12-28-17)16-20-8-6-7-19(13-20)14-25-23(27)18(2)22(24)21-9-4-3-5-10-21;;/h3-10,13,17-18,22H,11-12,14-16,24H2,1-2H3,(H,25,27);2*1H
InChIKeyJYPDRGNJMCKKAW-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea
CID 60586672
2-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119864244
2-methyl-N-[2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methylamino]-2-oxoethyl]butanamide
CID 47900404
2-amino-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119864242
1-[(2-fluorophenyl)methyl]-3-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]urea
CID 52502638
(2S)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081400
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62439094
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-nitrophenyl)acetamide
CID 47900135
4,4-dimethyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pent-2-enamide
CID 72689925
(Z)-2-methyl-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]pent-2-enamide
CID 94820446
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide
CID 56552754
(2R)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-2-carboxamide
CID 119864239

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride (CID 119864258) is 3-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride is CC1CN(Cc2cccc(CNC(=O)C(C)C(N)c3ccccc3)c2)CCO1.Cl.Cl.
What is the InChIKey of 3-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is JYPDRGNJMCKKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2.2ClH/c1-17-15-26(11-12-28-17)16-20-8-6-7-19(13-20)14-25-23(27)18(2)22(24)21-9-4-3-5-10-21;;/h3-10,13,17-18,22H,11-12,14-16,24H2,1-2H3,(H,25,27);2*1H.
What are the key properties of 3-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride?
3-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 454.44 g/mol, XLogP of 3.70, 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-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119864258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).