4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide

C25H25N3O3 — CID 2439104

IUPAC4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CN2CCc3ccccc3C2)cc1
InChIInChI=1S/C25H25N3O3/c1-31-23-9-5-4-8-22(23)27-25(30)19-10-12-21(13-11-19)26-24(29)17-28-15-14-18-6-2-3-7-20(18)16-28/h2-13H,14-17H2,1H3,(H,26,29)(H,27,30)
InChIKeyHDELMPCVOXPXFM-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.94
Rot. Bonds6

About 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide

4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide (PubChem CID 2439104) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
PubChem CID2439104
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CN2CCc3ccccc3C2)cc1
InChIInChI=1S/C25H25N3O3/c1-31-23-9-5-4-8-22(23)27-25(30)19-10-12-21(13-11-19)26-24(29)17-28-15-14-18-6-2-3-7-20(18)16-28/h2-13H,14-17H2,1H3,(H,26,29)(H,27,30)
InChIKeyHDELMPCVOXPXFM-UHFFFAOYSA-N
XLogP3.94
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide with MolForge

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Related Compounds

4-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 11940884
(3S)-2-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55935335
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 2545808
methyl 4-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]benzoate
CID 8760683
N-(2-methoxyphenyl)-4-[[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]benzamide
CID 46801583
N-(2-methoxyphenyl)-4-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 16554821
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide
CID 4899379
N-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 2345538
4-[[2-(2-ethylpiperidin-1-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 51170589
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-ethoxyphenyl)benzamide
CID 2273251
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 1360838
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide (CID 2439104) is 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)CN2CCc3ccccc3C2)cc1.
What is the InChIKey of 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide?
The InChIKey is HDELMPCVOXPXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-31-23-9-5-4-8-22(23)27-25(30)19-10-12-21(13-11-19)26-24(29)17-28-15-14-18-6-2-3-7-20(18)16-28/h2-13H,14-17H2,1H3,(H,26,29)(H,27,30).
What are the key properties of 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide?
4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide has a molecular weight of 415.49 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 2439104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).