N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]acetamide

C19H28N2O — CID 72736197

IUPACN-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(CCN2CCc3ccccc3C2)CC1
InChIInChI=1S/C19H28N2O/c1-15(22)20-19-8-6-16(7-9-19)10-12-21-13-11-17-4-2-3-5-18(17)14-21/h2-5,16,19H,6-14H2,1H3,(H,20,22)
InChIKeyZRYSIPZYVQINMW-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.13
Rot. Bonds4

About N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]acetamide

N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]acetamide (PubChem CID 72736197) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]acetamide
PubChem CID72736197
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(CCN2CCc3ccccc3C2)CC1
InChIInChI=1S/C19H28N2O/c1-15(22)20-19-8-6-16(7-9-19)10-12-21-13-11-17-4-2-3-5-18(17)14-21/h2-5,16,19H,6-14H2,1H3,(H,20,22)
InChIKeyZRYSIPZYVQINMW-UHFFFAOYSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]acetamide?
The IUPAC name of N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]acetamide (CID 72736197) is N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]acetamide is CC(=O)NC1CCC(CCN2CCc3ccccc3C2)CC1.
What is the InChIKey of N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]acetamide?
The InChIKey is ZRYSIPZYVQINMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-15(22)20-19-8-6-16(7-9-19)10-12-21-13-11-17-4-2-3-5-18(17)14-21/h2-5,16,19H,6-14H2,1H3,(H,20,22).
What are the key properties of N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]acetamide?
N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]acetamide has a molecular weight of 300.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 72736197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).