N-[1-[4-[(5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide

C23H30N2O2 — CID 118940230

IUPACN-[1-[4-[(5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(CN2CCc3c(cccc3OC(C)C)C2)cc1
InChIInChI=1S/C23H30N2O2/c1-16(2)27-23-7-5-6-21-15-25(13-12-22(21)23)14-19-8-10-20(11-9-19)17(3)24-18(4)26/h5-11,16-17H,12-15H2,1-4H3,(H,24,26)
InChIKeyAIOXQXYWPBSIFN-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.23
Rot. Bonds6

About N-[1-[4-[(5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide

N-[1-[4-[(5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide (PubChem CID 118940230) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[1-[4-[(5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[(5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide
PubChem CID118940230
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[1-[4-[(5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(CN2CCc3c(cccc3OC(C)C)C2)cc1
InChIInChI=1S/C23H30N2O2/c1-16(2)27-23-7-5-6-21-15-25(13-12-22(21)23)14-19-8-10-20(11-9-19)17(3)24-18(4)26/h5-11,16-17H,12-15H2,1-4H3,(H,24,26)
InChIKeyAIOXQXYWPBSIFN-UHFFFAOYSA-N
XLogP4.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[4-[(5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide with MolForge

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Related Compounds

1-(2-(2-Ethoxyphenyl)-1-phenylethyl)piperazine
CID 11289879
1-(1-Phenyl-2-(2-propoxyphenyl)ethyl)piperazine
CID 44414723
N-[2-(2,3-Dihydro-1H-benzo[f]chromen-10-yl)-ethyl]-acetamide
CID 15340633
N-ethyl-3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yloxy)propan-1-amine
CID 44430359
Soquinolol
CID 68811
(R)-1-(2-(2-ethoxyphenyl)-1-phenylethyl)piperazine hydrochloride
CID 16043230
1-[(3R,4S)-4-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]-3-phenylpiperidin-1-yl]ethanone;hydrochloride
CID 57400914
1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-o-tolyloxy-ethanone
CID 801549
2-[2-(3-Methylphenoxy)propanoyl]-1,2,3,4-tetrahydroisoquinoline
CID 2977115
2-(4-cyclohexylpiperazin-1-yl)-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51003046
N-[2-(2,3,7,8,9,10-Hexahydro-1H-benzo[f]chromen-10-yl)-ethyl]-acetamide
CID 10038961
2-[1-(3,4-Dimethoxy-benzyl)-6-methoxy-7-isopropoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-benzyl-acetamide
CID 10208109

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[1-[4-[(5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide (CID 118940230) is N-[1-[4-[(5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[1-[4-[(5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[1-[4-[(5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide is CC(=O)NC(C)c1ccc(CN2CCc3c(cccc3OC(C)C)C2)cc1.
What is the InChIKey of N-[1-[4-[(5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide?
The InChIKey is AIOXQXYWPBSIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-16(2)27-23-7-5-6-21-15-25(13-12-22(21)23)14-19-8-10-20(11-9-19)17(3)24-18(4)26/h5-11,16-17H,12-15H2,1-4H3,(H,24,26).
What are the key properties of N-[1-[4-[(5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide?
N-[1-[4-[(5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide has a molecular weight of 366.51 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 118940230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).