2,2-dimethyl-N-(1-oxo-2H-isoquinolin-5-yl)propanamide

C14H16N2O2 — CID 52936895

IUPAC2,2-dimethyl-N-(1-oxo-2H-isoquinolin-5-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1cccc2c(=O)[nH]ccc12
InChIInChI=1S/C14H16N2O2/c1-14(2,3)13(18)16-11-6-4-5-10-9(11)7-8-15-12(10)17/h4-8H,1-3H3,(H,15,17)(H,16,18)
InChIKeyVVQLNTGURCOVOV-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.51
Rot. Bonds1

About 2,2-dimethyl-N-(1-oxo-2H-isoquinolin-5-yl)propanamide

2,2-dimethyl-N-(1-oxo-2H-isoquinolin-5-yl)propanamide (PubChem CID 52936895) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-oxo-2H-isoquinolin-5-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-oxo-2H-isoquinolin-5-yl)propanamide
PubChem CID52936895
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2,2-dimethyl-N-(1-oxo-2H-isoquinolin-5-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1cccc2c(=O)[nH]ccc12
InChIInChI=1S/C14H16N2O2/c1-14(2,3)13(18)16-11-6-4-5-10-9(11)7-8-15-12(10)17/h4-8H,1-3H3,(H,15,17)(H,16,18)
InChIKeyVVQLNTGURCOVOV-UHFFFAOYSA-N
XLogP2.51
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-4-yl)-2,2-dimethylpropanamide
CID 110730904
N-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide
CID 64590909
4-methyl-N-(1-oxo-2H-isoquinolin-5-yl)benzamide
CID 52936781
2-methyl-N-(1-oxo-2H-isoquinolin-5-yl)pyridine-4-carboxamide
CID 167952573
N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
CID 141287633
N-anthracen-1-yl-2,2-dimethylpropanamide
CID 54051117
(E)-3-cyclobutyl-N-(1-oxo-2H-isoquinolin-5-yl)prop-2-enamide
CID 166236276
5-[(3-chloro-2-hydroxypropyl)amino]-2H-isoquinolin-1-one
CID 168638940
3-methyl-N-(1-oxo-2H-isoquinolin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 167945675
N-(1H-indol-4-yl)-2-methyl-2-phenylpropanamide
CID 110473243
(3R,4S)-3-cyclopropyl-4-hydroxy-N-(1-oxo-2H-isoquinolin-5-yl)pyrrolidine-1-carboxamide
CID 167901515
2,2,2-trifluoro-N-(1H-indol-4-yl)acetamide
CID 110470939

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-oxo-2H-isoquinolin-5-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(1-oxo-2H-isoquinolin-5-yl)propanamide (CID 52936895) is 2,2-dimethyl-N-(1-oxo-2H-isoquinolin-5-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(1-oxo-2H-isoquinolin-5-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(1-oxo-2H-isoquinolin-5-yl)propanamide is CC(C)(C)C(=O)Nc1cccc2c(=O)[nH]ccc12.
What is the InChIKey of 2,2-dimethyl-N-(1-oxo-2H-isoquinolin-5-yl)propanamide?
The InChIKey is VVQLNTGURCOVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-14(2,3)13(18)16-11-6-4-5-10-9(11)7-8-15-12(10)17/h4-8H,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 2,2-dimethyl-N-(1-oxo-2H-isoquinolin-5-yl)propanamide?
2,2-dimethyl-N-(1-oxo-2H-isoquinolin-5-yl)propanamide has a molecular weight of 244.29 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1-oxo-2H-isoquinolin-5-yl)propanamide is sourced from PubChem (CID 52936895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).