N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]morpholine-2-carboxamide;dihydrochloride

C18H29Cl2N3O2 — CID 119850057

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]morpholine-2-carboxamide;dihydrochloride
SMILESCC(C)(CNC(=O)C1CNCCO1)N1CCc2ccccc2C1.Cl.Cl
InChIInChI=1S/C18H27N3O2.2ClH/c1-18(2,13-20-17(22)16-11-19-8-10-23-16)21-9-7-14-5-3-4-6-15(14)12-21;;/h3-6,16,19H,7-13H2,1-2H3,(H,20,22);2*1H
InChIKeyUOUWFFMAKBZOGI-UHFFFAOYSA-N
MW390.36 g/mol
LogP1.77
Rot. Bonds4

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]morpholine-2-carboxamide;dihydrochloride

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]morpholine-2-carboxamide;dihydrochloride (PubChem CID 119850057) has the molecular formula C18H29Cl2N3O2 and a molecular weight of 390.36 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]morpholine-2-carboxamide;dihydrochloride
PubChem CID119850057
Molecular FormulaC18H29Cl2N3O2
Molecular Weight390.36 g/mol
Exact Mass389.16
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]morpholine-2-carboxamide;dihydrochloride
SMILESCC(C)(CNC(=O)C1CNCCO1)N1CCc2ccccc2C1.Cl.Cl
InChIInChI=1S/C18H27N3O2.2ClH/c1-18(2,13-20-17(22)16-11-19-8-10-23-16)21-9-7-14-5-3-4-6-15(14)12-21;;/h3-6,16,19H,7-13H2,1-2H3,(H,20,22);2*1H
InChIKeyUOUWFFMAKBZOGI-UHFFFAOYSA-N
XLogP1.77
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]morpholine-2-carboxamide;dihydrochloride (CID 119850057) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]morpholine-2-carboxamide;dihydrochloride is CC(C)(CNC(=O)C1CNCCO1)N1CCc2ccccc2C1.Cl.Cl.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]morpholine-2-carboxamide;dihydrochloride?
The InChIKey is UOUWFFMAKBZOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.2ClH/c1-18(2,13-20-17(22)16-11-19-8-10-23-16)21-9-7-14-5-3-4-6-15(14)12-21;;/h3-6,16,19H,7-13H2,1-2H3,(H,20,22);2*1H.
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]morpholine-2-carboxamide;dihydrochloride?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]morpholine-2-carboxamide;dihydrochloride has a molecular weight of 390.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119850057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).