2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]acetamide

C20H31N3O2 — CID 32718395

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]acetamide
SMILESC[C@@H]1CN(CCCNC(=O)CN2CCc3ccccc3C2)C[C@H](C)O1
InChIInChI=1S/C20H31N3O2/c1-16-12-22(13-17(2)25-16)10-5-9-21-20(24)15-23-11-8-18-6-3-4-7-19(18)14-23/h3-4,6-7,16-17H,5,8-15H2,1-2H3,(H,21,24)/t16-,17+
InChIKeyMQFCUOQOVNYIGJ-CALCHBBNSA-N
MW345.49 g/mol
LogP1.66
Rot. Bonds6

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]acetamide

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]acetamide (PubChem CID 32718395) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]acetamide
PubChem CID32718395
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]acetamide
SMILESC[C@@H]1CN(CCCNC(=O)CN2CCc3ccccc3C2)C[C@H](C)O1
InChIInChI=1S/C20H31N3O2/c1-16-12-22(13-17(2)25-16)10-5-9-21-20(24)15-23-11-8-18-6-3-4-7-19(18)14-23/h3-4,6-7,16-17H,5,8-15H2,1-2H3,(H,21,24)/t16-,17+
InChIKeyMQFCUOQOVNYIGJ-CALCHBBNSA-N
XLogP1.66
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]acetamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]acetamide (CID 32718395) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]acetamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]acetamide is C[C@@H]1CN(CCCNC(=O)CN2CCc3ccccc3C2)C[C@H](C)O1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]acetamide?
The InChIKey is MQFCUOQOVNYIGJ-CALCHBBNSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-16-12-22(13-17(2)25-16)10-5-9-21-20(24)15-23-11-8-18-6-3-4-7-19(18)14-23/h3-4,6-7,16-17H,5,8-15H2,1-2H3,(H,21,24)/t16-,17+.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]acetamide?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]acetamide has a molecular weight of 345.49 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]acetamide is sourced from PubChem (CID 32718395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).