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

C23H30N2O2 — CID 118940244

IUPACN-[1-[4-[(5-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide
SMILESCCCOc1cccc2c1CCN(Cc1ccc(C(C)NC(C)=O)cc1)C2
InChIInChI=1S/C23H30N2O2/c1-4-14-27-23-7-5-6-21-16-25(13-12-22(21)23)15-19-8-10-20(11-9-19)17(2)24-18(3)26/h5-11,17H,4,12-16H2,1-3H3,(H,24,26)
InChIKeyJYGMNRQZKSZYGI-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.23
Rot. Bonds7

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

N-[1-[4-[(5-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide (PubChem CID 118940244) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[1-[4-[(5-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[(5-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide
PubChem CID118940244
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[1-[4-[(5-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide
SMILESCCCOc1cccc2c1CCN(Cc1ccc(C(C)NC(C)=O)cc1)C2
InChIInChI=1S/C23H30N2O2/c1-4-14-27-23-7-5-6-21-16-25(13-12-22(21)23)15-19-8-10-20(11-9-19)17(2)24-18(3)26/h5-11,17H,4,12-16H2,1-3H3,(H,24,26)
InChIKeyJYGMNRQZKSZYGI-UHFFFAOYSA-N
XLogP4.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoquinolinone
CID 9948349
1-(2-(2-Ethoxyphenyl)-1-phenylethyl)piperazine
CID 11289879
1-(1-Phenyl-2-(2-propoxyphenyl)ethyl)piperazine
CID 44414723
N-[2-(3H-Benzo[f]chromen-10-yl)-ethyl]-acetamide
CID 15340632
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
N-(1-methyl(4-piperidyl))-2-[5-methyl-2-(methylethyl)phenoxy]acetamide
CID 2971269
2-(4-cyclohexylpiperazin-1-yl)-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51003046

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(5-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[1-[4-[(5-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide (CID 118940244) is N-[1-[4-[(5-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[1-[4-[(5-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[1-[4-[(5-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide is CCCOc1cccc2c1CCN(Cc1ccc(C(C)NC(C)=O)cc1)C2.
What is the InChIKey of N-[1-[4-[(5-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide?
The InChIKey is JYGMNRQZKSZYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-4-14-27-23-7-5-6-21-16-25(13-12-22(21)23)15-19-8-10-20(11-9-19)17(2)24-18(3)26/h5-11,17H,4,12-16H2,1-3H3,(H,24,26).
What are the key properties of N-[1-[4-[(5-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide?
N-[1-[4-[(5-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide has a molecular weight of 366.51 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(5-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 118940244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).