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

C17H29Cl2N3O2 — CID 119864244

IUPAC2-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
SMILESCC1CN(Cc2cccc(CNC(=O)C(C)(C)N)c2)CCO1.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-13-11-20(7-8-22-13)12-15-6-4-5-14(9-15)10-19-16(21)17(2,3)18;;/h4-6,9,13H,7-8,10-12,18H2,1-3H3,(H,19,21);2*1H
InChIKeyCLPLVZOKRYNGDO-UHFFFAOYSA-N
MW378.34 g/mol
LogP2.10
Rot. Bonds5

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

2-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propanamide;dihydrochloride (PubChem CID 119864244) has the molecular formula C17H29Cl2N3O2 and a molecular weight of 378.34 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
PubChem CID119864244
Molecular FormulaC17H29Cl2N3O2
Molecular Weight378.34 g/mol
Exact Mass377.16
IUPAC Name2-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
SMILESCC1CN(Cc2cccc(CNC(=O)C(C)(C)N)c2)CCO1.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-13-11-20(7-8-22-13)12-15-6-4-5-14(9-15)10-19-16(21)17(2,3)18;;/h4-6,9,13H,7-8,10-12,18H2,1-3H3,(H,19,21);2*1H
InChIKeyCLPLVZOKRYNGDO-UHFFFAOYSA-N
XLogP2.10
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dimethyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pent-2-enamide
CID 72689925
2-amino-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119864242
2-amino-2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 119847245
1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea
CID 60586672
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62439094
3-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119864258
(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
(2S)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081400
1-[[3-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 124839884
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119864301
1-[(2-fluorophenyl)methyl]-3-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]urea
CID 52502638

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propanamide;dihydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propanamide;dihydrochloride (CID 119864244) is 2-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propanamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propanamide;dihydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propanamide;dihydrochloride is CC1CN(Cc2cccc(CNC(=O)C(C)(C)N)c2)CCO1.Cl.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propanamide;dihydrochloride?
The InChIKey is CLPLVZOKRYNGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.2ClH/c1-13-11-20(7-8-22-13)12-15-6-4-5-14(9-15)10-19-16(21)17(2,3)18;;/h4-6,9,13H,7-8,10-12,18H2,1-3H3,(H,19,21);2*1H.
What are the key properties of 2-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propanamide;dihydrochloride?
2-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propanamide;dihydrochloride has a molecular weight of 378.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propanamide;dihydrochloride is sourced from PubChem (CID 119864244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).