2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(1-phenylethyl)benzamide

C26H23N3O3 — CID 4786938

IUPAC2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1NC(=O)Cn1ccc2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C26H23N3O3/c1-18(19-9-3-2-4-10-19)27-25(31)22-13-7-8-14-23(22)28-24(30)17-29-16-15-20-11-5-6-12-21(20)26(29)32/h2-16,18H,17H2,1H3,(H,27,31)(H,28,30)
InChIKeyOKZATSCDOFDYFL-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.13
Rot. Bonds6

About 2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(1-phenylethyl)benzamide

2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 4786938) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID4786938
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1NC(=O)Cn1ccc2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C26H23N3O3/c1-18(19-9-3-2-4-10-19)27-25(31)22-13-7-8-14-23(22)28-24(30)17-29-16-15-20-11-5-6-12-21(20)26(29)32/h2-16,18H,17H2,1H3,(H,27,31)(H,28,30)
InChIKeyOKZATSCDOFDYFL-UHFFFAOYSA-N
XLogP4.13
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513
2-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 41259474
2-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 41259473
2-[[2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 124823995
2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide
CID 4157890
2-[[2-(4-chloro-3-methyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 97352007
2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 51170473
2-[[2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 51486000
N-[(1R)-1-phenylethyl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
CID 100515353
2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 9240215
2-[[2-(2-methylphenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 16557303
N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354346

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(1-phenylethyl)benzamide (CID 4786938) is 2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccccc1NC(=O)Cn1ccc2ccccc2c1=O)c1ccccc1.
What is the InChIKey of 2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is OKZATSCDOFDYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-18(19-9-3-2-4-10-19)27-25(31)22-13-7-8-14-23(22)28-24(30)17-29-16-15-20-11-5-6-12-21(20)26(29)32/h2-16,18H,17H2,1H3,(H,27,31)(H,28,30).
What are the key properties of 2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(1-phenylethyl)benzamide?
2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 425.49 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 4786938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).