2-(2,5-dimethoxyphenyl)-N-[2-(2-hydroxy-2-methylpropyl)-1-oxoisoquinolin-5-yl]acetamide

C23H26N2O5 — CID 59515750

IUPAC2-(2,5-dimethoxyphenyl)-N-[2-(2-hydroxy-2-methylpropyl)-1-oxoisoquinolin-5-yl]acetamide
SMILESCOc1ccc(OC)c(CC(=O)Nc2cccc3c(=O)n(CC(C)(C)O)ccc23)c1
InChIInChI=1S/C23H26N2O5/c1-23(2,28)14-25-11-10-17-18(22(25)27)6-5-7-19(17)24-21(26)13-15-12-16(29-3)8-9-20(15)30-4/h5-12,28H,13-14H2,1-4H3,(H,24,26)
InChIKeyIGJVFTXTCBPKDO-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.97
Rot. Bonds7

About 2-(2,5-dimethoxyphenyl)-N-[2-(2-hydroxy-2-methylpropyl)-1-oxoisoquinolin-5-yl]acetamide

2-(2,5-dimethoxyphenyl)-N-[2-(2-hydroxy-2-methylpropyl)-1-oxoisoquinolin-5-yl]acetamide (PubChem CID 59515750) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-N-[2-(2-hydroxy-2-methylpropyl)-1-oxoisoquinolin-5-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-N-[2-(2-hydroxy-2-methylpropyl)-1-oxoisoquinolin-5-yl]acetamide
PubChem CID59515750
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name2-(2,5-dimethoxyphenyl)-N-[2-(2-hydroxy-2-methylpropyl)-1-oxoisoquinolin-5-yl]acetamide
SMILESCOc1ccc(OC)c(CC(=O)Nc2cccc3c(=O)n(CC(C)(C)O)ccc23)c1
InChIInChI=1S/C23H26N2O5/c1-23(2,28)14-25-11-10-17-18(22(25)27)6-5-7-19(17)24-21(26)13-15-12-16(29-3)8-9-20(15)30-4/h5-12,28H,13-14H2,1-4H3,(H,24,26)
InChIKeyIGJVFTXTCBPKDO-UHFFFAOYSA-N
XLogP2.97
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dimethoxyphenyl)-N-naphthalen-1-ylacetamide
CID 78804407
N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide
CID 2149356
3,5-dichloro-N-[2-(2-hydroxy-2-methylpropyl)-1-oxoisoquinolin-5-yl]benzamide
CID 59515889
N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 59579483
2-(4-methoxyphenyl)-N-[2-(2-nitroethyl)-1-oxoisoquinolin-5-yl]acetamide
CID 143544514
N-[2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-5-yl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 59579731
2-(4-methoxy-3-methylphenyl)-N-[1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]isoquinolin-5-yl]acetamide
CID 59579377
2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylacetamide
CID 16913160
2-(3,5-dimethoxyphenyl)-N-[2-(2-morpholin-4-ylethyl)-1-oxoisoquinolin-5-yl]acetamide
CID 59579373
2-(2,5-dimethoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 78827090
2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 78865415
2-(2,5-dimethoxyphenyl)-N-(2-phenylphenyl)acetamide
CID 78804018

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[2-(2-hydroxy-2-methylpropyl)-1-oxoisoquinolin-5-yl]acetamide?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[2-(2-hydroxy-2-methylpropyl)-1-oxoisoquinolin-5-yl]acetamide (CID 59515750) is 2-(2,5-dimethoxyphenyl)-N-[2-(2-hydroxy-2-methylpropyl)-1-oxoisoquinolin-5-yl]acetamide.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-N-[2-(2-hydroxy-2-methylpropyl)-1-oxoisoquinolin-5-yl]acetamide?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-N-[2-(2-hydroxy-2-methylpropyl)-1-oxoisoquinolin-5-yl]acetamide is COc1ccc(OC)c(CC(=O)Nc2cccc3c(=O)n(CC(C)(C)O)ccc23)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-N-[2-(2-hydroxy-2-methylpropyl)-1-oxoisoquinolin-5-yl]acetamide?
The InChIKey is IGJVFTXTCBPKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-23(2,28)14-25-11-10-17-18(22(25)27)6-5-7-19(17)24-21(26)13-15-12-16(29-3)8-9-20(15)30-4/h5-12,28H,13-14H2,1-4H3,(H,24,26).
What are the key properties of 2-(2,5-dimethoxyphenyl)-N-[2-(2-hydroxy-2-methylpropyl)-1-oxoisoquinolin-5-yl]acetamide?
2-(2,5-dimethoxyphenyl)-N-[2-(2-hydroxy-2-methylpropyl)-1-oxoisoquinolin-5-yl]acetamide has a molecular weight of 410.47 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-N-[2-(2-hydroxy-2-methylpropyl)-1-oxoisoquinolin-5-yl]acetamide is sourced from PubChem (CID 59515750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).