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

C22H34N2O2 — CID 72736201

IUPAC2-methylpropyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate
SMILESCC(C)COC(=O)NC1CCC(CCN2CCc3ccccc3C2)CC1
InChIInChI=1S/C22H34N2O2/c1-17(2)16-26-22(25)23-21-9-7-18(8-10-21)11-13-24-14-12-19-5-3-4-6-20(19)15-24/h3-6,17-18,21H,7-16H2,1-2H3,(H,23,25)
InChIKeyZIZAIKAHKYFFQP-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.38
Rot. Bonds6

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

2-methylpropyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate (PubChem CID 72736201) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 2-methylpropyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate
PubChem CID72736201
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name2-methylpropyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate
SMILESCC(C)COC(=O)NC1CCC(CCN2CCc3ccccc3C2)CC1
InChIInChI=1S/C22H34N2O2/c1-17(2)16-26-22(25)23-21-9-7-18(8-10-21)11-13-24-14-12-19-5-3-4-6-20(19)15-24/h3-6,17-18,21H,7-16H2,1-2H3,(H,23,25)
InChIKeyZIZAIKAHKYFFQP-UHFFFAOYSA-N
XLogP4.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate?
The IUPAC name of 2-methylpropyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate (CID 72736201) is 2-methylpropyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate is CC(C)COC(=O)NC1CCC(CCN2CCc3ccccc3C2)CC1.
What is the InChIKey of 2-methylpropyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate?
The InChIKey is ZIZAIKAHKYFFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-17(2)16-26-22(25)23-21-9-7-18(8-10-21)11-13-24-14-12-19-5-3-4-6-20(19)15-24/h3-6,17-18,21H,7-16H2,1-2H3,(H,23,25).
What are the key properties of 2-methylpropyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate?
2-methylpropyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate has a molecular weight of 358.53 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate is sourced from PubChem (CID 72736201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).