N-isoquinolin-5-yl-3,3-dimethylbutanamide

C15H18N2O — CID 29371824

IUPACN-isoquinolin-5-yl-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1cccc2cnccc12
InChIInChI=1S/C15H18N2O/c1-15(2,3)9-14(18)17-13-6-4-5-11-10-16-8-7-12(11)13/h4-8,10H,9H2,1-3H3,(H,17,18)
InChIKeyWDIZGZPHLVNYCU-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.61
Rot. Bonds2

About N-isoquinolin-5-yl-3,3-dimethylbutanamide

N-isoquinolin-5-yl-3,3-dimethylbutanamide (PubChem CID 29371824) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-isoquinolin-5-yl-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-isoquinolin-5-yl-3,3-dimethylbutanamide
PubChem CID29371824
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-isoquinolin-5-yl-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1cccc2cnccc12
InChIInChI=1S/C15H18N2O/c1-15(2,3)9-14(18)17-13-6-4-5-11-10-16-8-7-12(11)13/h4-8,10H,9H2,1-3H3,(H,17,18)
InChIKeyWDIZGZPHLVNYCU-UHFFFAOYSA-N
XLogP3.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-isoquinolin-5-yl-3-sulfanylpropanamide
CID 107023450
2-amino-N-isoquinolin-5-yl-2-methylpropanamide
CID 61264999
3-(ethylamino)-N-isoquinolin-5-ylpropanamide
CID 62831440
N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide
CID 54924139
2-anilino-N-isoquinolin-5-ylacetamide
CID 60860768
2-ethoxy-N-isoquinolin-5-ylacetamide
CID 60719162
3-(isoquinolin-5-ylcarbamoylamino)-3-methylbutanoic acid
CID 64701832
2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide
CID 8763151
2-amino-N-[2-(isoquinolin-5-ylamino)-2-oxoethyl]acetamide
CID 54928661
N-[2-(isoquinolin-5-ylamino)-2-oxoethyl]-4-methylbenzamide
CID 29372226
1-[(2R)-2-hydroxy-3,3-dimethylbutyl]-3-isoquinolin-5-ylurea
CID 95329190
3-(isoquinolin-5-ylamino)-2,2-dimethylpropan-1-ol
CID 81413794

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-5-yl-3,3-dimethylbutanamide?
The IUPAC name of N-isoquinolin-5-yl-3,3-dimethylbutanamide (CID 29371824) is N-isoquinolin-5-yl-3,3-dimethylbutanamide.
What is the SMILES notation for N-isoquinolin-5-yl-3,3-dimethylbutanamide?
The canonical SMILES for N-isoquinolin-5-yl-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1cccc2cnccc12.
What is the InChIKey of N-isoquinolin-5-yl-3,3-dimethylbutanamide?
The InChIKey is WDIZGZPHLVNYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-15(2,3)9-14(18)17-13-6-4-5-11-10-16-8-7-12(11)13/h4-8,10H,9H2,1-3H3,(H,17,18).
What are the key properties of N-isoquinolin-5-yl-3,3-dimethylbutanamide?
N-isoquinolin-5-yl-3,3-dimethylbutanamide has a molecular weight of 242.32 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-5-yl-3,3-dimethylbutanamide is sourced from PubChem (CID 29371824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).