N-isoquinolin-3-yl-2-methoxy-2-methylbutanamide

C15H18N2O2 — CID 138013916

IUPACN-isoquinolin-3-yl-2-methoxy-2-methylbutanamide
SMILESCCC(C)(OC)C(=O)Nc1cc2ccccc2cn1
InChIInChI=1S/C15H18N2O2/c1-4-15(2,19-3)14(18)17-13-9-11-7-5-6-8-12(11)10-16-13/h5-10H,4H2,1-3H3,(H,16,17,18)
InChIKeyVPJYCFNTIFSKPR-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.99
Rot. Bonds4

About N-isoquinolin-3-yl-2-methoxy-2-methylbutanamide

N-isoquinolin-3-yl-2-methoxy-2-methylbutanamide (PubChem CID 138013916) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-isoquinolin-3-yl-2-methoxy-2-methylbutanamide.

Molecular Properties

Compound NameN-isoquinolin-3-yl-2-methoxy-2-methylbutanamide
PubChem CID138013916
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-isoquinolin-3-yl-2-methoxy-2-methylbutanamide
SMILESCCC(C)(OC)C(=O)Nc1cc2ccccc2cn1
InChIInChI=1S/C15H18N2O2/c1-4-15(2,19-3)14(18)17-13-9-11-7-5-6-8-12(11)10-16-13/h5-10H,4H2,1-3H3,(H,16,17,18)
InChIKeyVPJYCFNTIFSKPR-UHFFFAOYSA-N
XLogP2.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide
CID 133245858
2-methoxy-2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]butanamide
CID 133245849
(2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylbutanamide
CID 100693614
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-methoxy-2-methylbutanamide
CID 133245864
2-methoxy-2-methyl-N-(4-propoxynaphthalen-1-yl)butanamide
CID 133229716
2-methoxy-N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-2-methylbutanamide
CID 133205549
2-chloro-N-isoquinolin-3-ylbenzamide
CID 5237288
diethyl 2-[(isoquinolin-3-ylamino)methylidene]propanedioate
CID 617775
6-dimethoxyphosphoryloxyhexyl N-isoquinolin-3-ylcarbamate
CID 66623056
N-isoquinolin-3-ylhydroxylamine
CID 119089500
N-methylisoquinolin-3-amine
CID 24976745
(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylbutanamide
CID 100752858

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-3-yl-2-methoxy-2-methylbutanamide?
The IUPAC name of N-isoquinolin-3-yl-2-methoxy-2-methylbutanamide (CID 138013916) is N-isoquinolin-3-yl-2-methoxy-2-methylbutanamide.
What is the SMILES notation for N-isoquinolin-3-yl-2-methoxy-2-methylbutanamide?
The canonical SMILES for N-isoquinolin-3-yl-2-methoxy-2-methylbutanamide is CCC(C)(OC)C(=O)Nc1cc2ccccc2cn1.
What is the InChIKey of N-isoquinolin-3-yl-2-methoxy-2-methylbutanamide?
The InChIKey is VPJYCFNTIFSKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-15(2,19-3)14(18)17-13-9-11-7-5-6-8-12(11)10-16-13/h5-10H,4H2,1-3H3,(H,16,17,18).
What are the key properties of N-isoquinolin-3-yl-2-methoxy-2-methylbutanamide?
N-isoquinolin-3-yl-2-methoxy-2-methylbutanamide has a molecular weight of 258.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-3-yl-2-methoxy-2-methylbutanamide is sourced from PubChem (CID 138013916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).