2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(oxan-4-yl)acetamide

C19H29N3O2 — CID 120799294

IUPAC2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(oxan-4-yl)acetamide
SMILESCC(CNC(=O)C(N)C1CCOCC1)N1CCc2ccccc2C1
InChIInChI=1S/C19H29N3O2/c1-14(22-9-6-15-4-2-3-5-17(15)13-22)12-21-19(23)18(20)16-7-10-24-11-8-16/h2-5,14,16,18H,6-13,20H2,1H3,(H,21,23)
InChIKeyIGACDXKAVPKHOE-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.30
Rot. Bonds5

About 2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(oxan-4-yl)acetamide

2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(oxan-4-yl)acetamide (PubChem CID 120799294) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(oxan-4-yl)acetamide
PubChem CID120799294
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(oxan-4-yl)acetamide
SMILESCC(CNC(=O)C(N)C1CCOCC1)N1CCc2ccccc2C1
InChIInChI=1S/C19H29N3O2/c1-14(22-9-6-15-4-2-3-5-17(15)13-22)12-21-19(23)18(20)16-7-10-24-11-8-16/h2-5,14,16,18H,6-13,20H2,1H3,(H,21,23)
InChIKeyIGACDXKAVPKHOE-UHFFFAOYSA-N
XLogP1.30
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide
CID 47163208
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]cyclopropanecarboxamide
CID 47163209
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-hydroxy-2-phenylacetamide
CID 111464478
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-yl)propanamide
CID 109478463
2-amino-N-(2-morpholin-4-yl-2-phenylethyl)-2-(oxan-4-yl)acetamide
CID 120798354
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438280
2-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-(oxan-4-yl)acetamide
CID 120798822
(2S)-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94021218
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,3,3-trifluoropropanamide
CID 94054122
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726338
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide;dihydrochloride
CID 120651396
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-fluorobenzamide
CID 32923012

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(oxan-4-yl)acetamide (CID 120799294) is 2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(oxan-4-yl)acetamide is CC(CNC(=O)C(N)C1CCOCC1)N1CCc2ccccc2C1.
What is the InChIKey of 2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(oxan-4-yl)acetamide?
The InChIKey is IGACDXKAVPKHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14(22-9-6-15-4-2-3-5-17(15)13-22)12-21-19(23)18(20)16-7-10-24-11-8-16/h2-5,14,16,18H,6-13,20H2,1H3,(H,21,23).
What are the key properties of 2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(oxan-4-yl)acetamide has a molecular weight of 331.46 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120799294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).