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

C21H32N2O2 — CID 72736200

IUPACpropan-2-yl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate
SMILESCC(C)OC(=O)NC1CCC(CCN2CCc3ccccc3C2)CC1
InChIInChI=1S/C21H32N2O2/c1-16(2)25-21(24)22-20-9-7-17(8-10-20)11-13-23-14-12-18-5-3-4-6-19(18)15-23/h3-6,16-17,20H,7-15H2,1-2H3,(H,22,24)
InChIKeySSTFAQARXUDMNY-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.13
Rot. Bonds5

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

propan-2-yl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate (PubChem CID 72736200) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is propan-2-yl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate
PubChem CID72736200
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Namepropan-2-yl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate
SMILESCC(C)OC(=O)NC1CCC(CCN2CCc3ccccc3C2)CC1
InChIInChI=1S/C21H32N2O2/c1-16(2)25-21(24)22-20-9-7-17(8-10-20)11-13-23-14-12-18-5-3-4-6-19(18)15-23/h3-6,16-17,20H,7-15H2,1-2H3,(H,22,24)
InChIKeySSTFAQARXUDMNY-UHFFFAOYSA-N
XLogP4.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate?
The IUPAC name of propan-2-yl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate (CID 72736200) is propan-2-yl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate is CC(C)OC(=O)NC1CCC(CCN2CCc3ccccc3C2)CC1.
What is the InChIKey of propan-2-yl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate?
The InChIKey is SSTFAQARXUDMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-16(2)25-21(24)22-20-9-7-17(8-10-20)11-13-23-14-12-18-5-3-4-6-19(18)15-23/h3-6,16-17,20H,7-15H2,1-2H3,(H,22,24).
What are the key properties of propan-2-yl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate?
propan-2-yl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate has a molecular weight of 344.50 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate is sourced from PubChem (CID 72736200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).