2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-ethoxyphenyl)ethyl]acetamide

C23H26N2O3 — CID 51292807

IUPAC2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(C(C)NC(=O)CC2c3ccccc3C=CN2C(C)=O)cc1
InChIInChI=1S/C23H26N2O3/c1-4-28-20-11-9-18(10-12-20)16(2)24-23(27)15-22-21-8-6-5-7-19(21)13-14-25(22)17(3)26/h5-14,16,22H,4,15H2,1-3H3,(H,24,27)
InChIKeyKJSNPTXVUWQEAE-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.23
Rot. Bonds6

About 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-ethoxyphenyl)ethyl]acetamide

2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-ethoxyphenyl)ethyl]acetamide (PubChem CID 51292807) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-ethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
PubChem CID51292807
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(C(C)NC(=O)CC2c3ccccc3C=CN2C(C)=O)cc1
InChIInChI=1S/C23H26N2O3/c1-4-28-20-11-9-18(10-12-20)16(2)24-23(27)15-22-21-8-6-5-7-19(21)13-14-25(22)17(3)26/h5-14,16,22H,4,15H2,1-3H3,(H,24,27)
InChIKeyKJSNPTXVUWQEAE-UHFFFAOYSA-N
XLogP4.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]ethyl]phenyl]propanamide
CID 46441324
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-aminobutyl)acetamide;hydrochloride
CID 119260378
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[(S)-(4-bromophenyl)-phenylmethyl]acetamide
CID 52909428
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-aminohexan-2-yl)acetamide
CID 119261365
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylacetamide
CID 880798
ethyl 2-[2-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 18139413
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 28954114
N'-[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-4-ethylbenzohydrazide
CID 9088106
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 60552472
N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-2-hydroxybenzohydrazide
CID 18109177
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-acetylpiperidin-4-yl)acetamide
CID 45352268
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 51238433

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-ethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-ethoxyphenyl)ethyl]acetamide (CID 51292807) is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-ethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-ethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-ethoxyphenyl)ethyl]acetamide is CCOc1ccc(C(C)NC(=O)CC2c3ccccc3C=CN2C(C)=O)cc1.
What is the InChIKey of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-ethoxyphenyl)ethyl]acetamide?
The InChIKey is KJSNPTXVUWQEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-4-28-20-11-9-18(10-12-20)16(2)24-23(27)15-22-21-8-6-5-7-19(21)13-14-25(22)17(3)26/h5-14,16,22H,4,15H2,1-3H3,(H,24,27).
What are the key properties of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-ethoxyphenyl)ethyl]acetamide?
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-ethoxyphenyl)ethyl]acetamide has a molecular weight of 378.47 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-ethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 51292807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).