4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyloxan-4-yl)methyl]benzamide

C24H30N2O2 — CID 118781776

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyloxan-4-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)CCOCC1
InChIInChI=1S/C24H30N2O2/c1-24(11-14-28-15-12-24)18-25-23(27)21-8-6-19(7-9-21)16-26-13-10-20-4-2-3-5-22(20)17-26/h2-9H,10-18H2,1H3,(H,25,27)
InChIKeyILTXAALNMZYVGM-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.79
Rot. Bonds5

About 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyloxan-4-yl)methyl]benzamide

4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyloxan-4-yl)methyl]benzamide (PubChem CID 118781776) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyloxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyloxan-4-yl)methyl]benzamide
PubChem CID118781776
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyloxan-4-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)CCOCC1
InChIInChI=1S/C24H30N2O2/c1-24(11-14-28-15-12-24)18-25-23(27)21-8-6-19(7-9-21)16-26-13-10-20-4-2-3-5-22(20)17-26/h2-9H,10-18H2,1H3,(H,25,27)
InChIKeyILTXAALNMZYVGM-UHFFFAOYSA-N
XLogP3.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-prop-2-enylbenzamide
CID 2864227
N-tert-butyl-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
CID 745834
N-[(2,5-diethylphenyl)methyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
CID 100719664
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(3-fluorophenyl)methyl]benzamide
CID 53279655
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(3-morpholin-4-ylsulfinylphenyl)benzamide
CID 123711172
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-[dihydroxy(morpholin-4-yl)-λ4-sulfanyl]phenyl]benzamide;molecular hydrogen
CID 144711652
N-(2-bromophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
CID 1208461
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135894887
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-phenylbutan-2-yl)benzamide
CID 17200373
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(1R)-1-phenylpropyl]benzamide
CID 92674060
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(3-methylsulfanylphenyl)benzamide
CID 1322771
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 2176305

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyloxan-4-yl)methyl]benzamide?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyloxan-4-yl)methyl]benzamide (CID 118781776) is 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyloxan-4-yl)methyl]benzamide.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyloxan-4-yl)methyl]benzamide?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyloxan-4-yl)methyl]benzamide is CC1(CNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)CCOCC1.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyloxan-4-yl)methyl]benzamide?
The InChIKey is ILTXAALNMZYVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-24(11-14-28-15-12-24)18-25-23(27)21-8-6-19(7-9-21)16-26-13-10-20-4-2-3-5-22(20)17-26/h2-9H,10-18H2,1H3,(H,25,27).
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyloxan-4-yl)methyl]benzamide?
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyloxan-4-yl)methyl]benzamide has a molecular weight of 378.52 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-methyloxan-4-yl)methyl]benzamide is sourced from PubChem (CID 118781776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).