N-[4-(isoquinolin-1-ylmethyl)phenyl]butanamide

C20H20N2O — CID 67036636

IUPACN-[4-(isoquinolin-1-ylmethyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cc2nccc3ccccc23)cc1
InChIInChI=1S/C20H20N2O/c1-2-5-20(23)22-17-10-8-15(9-11-17)14-19-18-7-4-3-6-16(18)12-13-21-19/h3-4,6-13H,2,5,14H2,1H3,(H,22,23)
InChIKeyZNNDDUTXETZQEC-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.56
Rot. Bonds5

About N-[4-(isoquinolin-1-ylmethyl)phenyl]butanamide

N-[4-(isoquinolin-1-ylmethyl)phenyl]butanamide (PubChem CID 67036636) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[4-(isoquinolin-1-ylmethyl)phenyl]butanamide.

Molecular Properties

Compound NameN-[4-(isoquinolin-1-ylmethyl)phenyl]butanamide
PubChem CID67036636
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC NameN-[4-(isoquinolin-1-ylmethyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cc2nccc3ccccc23)cc1
InChIInChI=1S/C20H20N2O/c1-2-5-20(23)22-17-10-8-15(9-11-17)14-19-18-7-4-3-6-16(18)12-13-21-19/h3-4,6-13H,2,5,14H2,1H3,(H,22,23)
InChIKeyZNNDDUTXETZQEC-UHFFFAOYSA-N
XLogP4.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-(isoquinolin-1-ylmethyl)phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(isoquinolin-1-ylmethyl)phenyl]propanamide
CID 59715719
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
5-[4-(isoquinolin-1-ylmethyl)phenyl]-N,N-dimethylpentanamide
CID 67120735
N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide
CID 119289487
N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795313
N-[4-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]phenyl]butanamide
CID 110953088
3-[4-(isoquinolin-1-ylmethyl)phenyl]prop-2-ene-1-sulfinic acid
CID 77249894
N-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]butanamide
CID 17202461
N-phenazin-2-ylbutanamide
CID 73349412
N-[2-(4-chlorophenyl)ethyl]-4-(isoquinolin-1-ylmethyl)benzamide
CID 174692750
N-(4-formylphenyl)butanamide
CID 14471017
N-(2-methyl-4-pyridinyl)butanamide
CID 78910950

Frequently Asked Questions

What is the IUPAC name of N-[4-(isoquinolin-1-ylmethyl)phenyl]butanamide?
The IUPAC name of N-[4-(isoquinolin-1-ylmethyl)phenyl]butanamide (CID 67036636) is N-[4-(isoquinolin-1-ylmethyl)phenyl]butanamide.
What is the SMILES notation for N-[4-(isoquinolin-1-ylmethyl)phenyl]butanamide?
The canonical SMILES for N-[4-(isoquinolin-1-ylmethyl)phenyl]butanamide is CCCC(=O)Nc1ccc(Cc2nccc3ccccc23)cc1.
What is the InChIKey of N-[4-(isoquinolin-1-ylmethyl)phenyl]butanamide?
The InChIKey is ZNNDDUTXETZQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-2-5-20(23)22-17-10-8-15(9-11-17)14-19-18-7-4-3-6-16(18)12-13-21-19/h3-4,6-13H,2,5,14H2,1H3,(H,22,23).
What are the key properties of N-[4-(isoquinolin-1-ylmethyl)phenyl]butanamide?
N-[4-(isoquinolin-1-ylmethyl)phenyl]butanamide has a molecular weight of 304.39 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(isoquinolin-1-ylmethyl)phenyl]butanamide is sourced from PubChem (CID 67036636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).