N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide

C19H19N3O4 — CID 9248269

IUPACN-(1,3-benzodioxol-5-ylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESO=C(CN1CCc2ccccc2C1)NC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H19N3O4/c23-18(11-22-8-7-13-3-1-2-4-14(13)10-22)21-19(24)20-15-5-6-16-17(9-15)26-12-25-16/h1-6,9H,7-8,10-12H2,(H2,20,21,23,24)
InChIKeySMWMKFMIHUILEA-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.12
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide

N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide (PubChem CID 9248269) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
PubChem CID9248269
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-(1,3-benzodioxol-5-ylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESO=C(CN1CCc2ccccc2C1)NC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H19N3O4/c23-18(11-22-8-7-13-3-1-2-4-14(13)10-22)21-19(24)20-15-5-6-16-17(9-15)26-12-25-16/h1-6,9H,7-8,10-12H2,(H2,20,21,23,24)
InChIKeySMWMKFMIHUILEA-UHFFFAOYSA-N
XLogP2.12
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3,4-dimethylphenyl)carbamoyl]acetamide
CID 9248267
N-(1,3-benzodioxol-5-yl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propanamide
CID 110342798
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide
CID 120772498
2-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
CID 4824495
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 9477764
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide
CID 17428185
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 24561378
N-(1,3-benzodioxol-5-ylcarbamoyl)benzamide
CID 35142870
N-(1,3-benzodioxol-5-yl)-2-[[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetyl]amino]benzamide
CID 167889900
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 37383751
N-(3-chloro-4-methylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8897194
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]acetamide
CID 27151553

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide (CID 9248269) is N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide is O=C(CN1CCc2ccccc2C1)NC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The InChIKey is SMWMKFMIHUILEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c23-18(11-22-8-7-13-3-1-2-4-14(13)10-22)21-19(24)20-15-5-6-16-17(9-15)26-12-25-16/h1-6,9H,7-8,10-12H2,(H2,20,21,23,24).
What are the key properties of N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide has a molecular weight of 353.38 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide is sourced from PubChem (CID 9248269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).