2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethylazanide

C18H28N3O2- — CID 58824152

IUPAC2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethylazanide
SMILESCC(C)(C)OC(=O)CCN(CC[NH-])c1cccc2c1CCNC2
InChIInChI=1S/C18H28N3O2/c1-18(2,3)23-17(22)8-11-21(12-9-19)16-6-4-5-14-13-20-10-7-15(14)16/h4-6,19-20H,7-13H2,1-3H3/q-1
InChIKeyUOJUSTMUCWNOLZ-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.92
Rot. Bonds6

About 2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethylazanide

2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethylazanide (PubChem CID 58824152) has the molecular formula C18H28N3O2- and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethylazanide.

Molecular Properties

Compound Name2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethylazanide
PubChem CID58824152
Molecular FormulaC18H28N3O2-
Molecular Weight318.44 g/mol
Exact Mass318.22
IUPAC Name2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethylazanide
SMILESCC(C)(C)OC(=O)CCN(CC[NH-])c1cccc2c1CCNC2
InChIInChI=1S/C18H28N3O2/c1-18(2,3)23-17(22)8-11-21(12-9-19)16-6-4-5-14-13-20-10-7-15(14)16/h4-6,19-20H,7-13H2,1-3H3/q-1
InChIKeyUOJUSTMUCWNOLZ-UHFFFAOYSA-N
XLogP2.92
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethylazanide?
The IUPAC name of 2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethylazanide (CID 58824152) is 2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethylazanide.
What is the SMILES notation for 2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethylazanide?
The canonical SMILES for 2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethylazanide is CC(C)(C)OC(=O)CCN(CC[NH-])c1cccc2c1CCNC2.
What is the InChIKey of 2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethylazanide?
The InChIKey is UOJUSTMUCWNOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N3O2/c1-18(2,3)23-17(22)8-11-21(12-9-19)16-6-4-5-14-13-20-10-7-15(14)16/h4-6,19-20H,7-13H2,1-3H3/q-1.
What are the key properties of 2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethylazanide?
2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethylazanide has a molecular weight of 318.44 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethylazanide is sourced from PubChem (CID 58824152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).