N-benzhydryl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide

C24H22N2O2 — CID 108508045

IUPACN-benzhydryl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C24H22N2O2/c27-23(24(28)26-16-15-18-9-7-8-14-21(18)17-26)25-22(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-14,22H,15-17H2,(H,25,27)
InChIKeyCTNBSGCQRXZPAX-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.48
Rot. Bonds3

About N-benzhydryl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide

N-benzhydryl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide (PubChem CID 108508045) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-benzhydryl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
PubChem CID108508045
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC NameN-benzhydryl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C24H22N2O2/c27-23(24(28)26-16-15-18-9-7-8-14-21(18)17-26)25-22(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-14,22H,15-17H2,(H,25,27)
InChIKeyCTNBSGCQRXZPAX-UHFFFAOYSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-N-propan-2-ylacetamide
CID 58790057
N-benzhydryl-2-oxo-2-piperidin-1-ylacetamide
CID 108508001
2-(benzhydrylamino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 8005837
N-(1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 3722367
2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide
CID 63153884
N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
CID 108505977
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 108525679
N-(2-acetamidoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
CID 108525634
1-[2-(benzhydrylamino)-2-oxoacetyl]piperidine-4-carboxamide
CID 45001400
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[phenyl(pyridin-2-yl)methyl]amino]ethanone
CID 86908876
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfinyl-2-phenylacetic acid
CID 123119159
(E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbut-2-en-1-one
CID 11264387

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide?
The IUPAC name of N-benzhydryl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide (CID 108508045) is N-benzhydryl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide.
What is the SMILES notation for N-benzhydryl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide?
The canonical SMILES for N-benzhydryl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide is O=C(NC(c1ccccc1)c1ccccc1)C(=O)N1CCc2ccccc2C1.
What is the InChIKey of N-benzhydryl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide?
The InChIKey is CTNBSGCQRXZPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c27-23(24(28)26-16-15-18-9-7-8-14-21(18)17-26)25-22(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-14,22H,15-17H2,(H,25,27).
What are the key properties of N-benzhydryl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide?
N-benzhydryl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide has a molecular weight of 370.45 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide is sourced from PubChem (CID 108508045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).