N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

C17H28Cl3N3O2 — CID 119867154

IUPACN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NCC(c1ccc(Cl)cc1)N1CCOCC1.Cl.Cl
InChIInChI=1S/C17H26ClN3O2.2ClH/c1-13(11-19-2)17(22)20-12-16(21-7-9-23-10-8-21)14-3-5-15(18)6-4-14;;/h3-6,13,16,19H,7-12H2,1-2H3,(H,20,22);2*1H
InChIKeyMLOAOLOWTNNLCT-UHFFFAOYSA-N
MW412.79 g/mol
LogP2.53
Rot. Bonds7

About N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (PubChem CID 119867154) has the molecular formula C17H28Cl3N3O2 and a molecular weight of 412.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
PubChem CID119867154
Molecular FormulaC17H28Cl3N3O2
Molecular Weight412.79 g/mol
Exact Mass411.12
IUPAC NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NCC(c1ccc(Cl)cc1)N1CCOCC1.Cl.Cl
InChIInChI=1S/C17H26ClN3O2.2ClH/c1-13(11-19-2)17(22)20-12-16(21-7-9-23-10-8-21)14-3-5-15(18)6-4-14;;/h3-6,13,16,19H,7-12H2,1-2H3,(H,20,22);2*1H
InChIKeyMLOAOLOWTNNLCT-UHFFFAOYSA-N
XLogP2.53
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.79
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 119867147
2-methyl-3-(methylamino)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 119872548
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894
2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 119867125
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 27811203
2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119867130
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 60597314
4-chloro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 16804391
3-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 110302218
2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 42910246
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 30334846

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (CID 119867154) is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is CNCC(C)C(=O)NCC(c1ccc(Cl)cc1)N1CCOCC1.Cl.Cl.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The InChIKey is MLOAOLOWTNNLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2.2ClH/c1-13(11-19-2)17(22)20-12-16(21-7-9-23-10-8-21)14-3-5-15(18)6-4-14;;/h3-6,13,16,19H,7-12H2,1-2H3,(H,20,22);2*1H.
What are the key properties of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride has a molecular weight of 412.79 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is sourced from PubChem (CID 119867154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).