(1-hydroxy-2-methylpropan-2-yl) N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate

C15H22N2O3 — CID 175939172

IUPAC(1-hydroxy-2-methylpropan-2-yl) N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate
SMILESCN(C(=O)OC(C)(C)CO)C1CNc2ccccc2C1
InChIInChI=1S/C15H22N2O3/c1-15(2,10-18)20-14(19)17(3)12-8-11-6-4-5-7-13(11)16-9-12/h4-7,12,16,18H,8-10H2,1-3H3
InChIKeyBCLGFGVNINIKHT-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.86
Rot. Bonds3

About (1-hydroxy-2-methylpropan-2-yl) N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate

(1-hydroxy-2-methylpropan-2-yl) N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate (PubChem CID 175939172) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (1-hydroxy-2-methylpropan-2-yl) N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate.

Molecular Properties

Compound Name(1-hydroxy-2-methylpropan-2-yl) N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate
PubChem CID175939172
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(1-hydroxy-2-methylpropan-2-yl) N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate
SMILESCN(C(=O)OC(C)(C)CO)C1CNc2ccccc2C1
InChIInChI=1S/C15H22N2O3/c1-15(2,10-18)20-14(19)17(3)12-8-11-6-4-5-7-13(11)16-9-12/h4-7,12,16,18H,8-10H2,1-3H3
InChIKeyBCLGFGVNINIKHT-UHFFFAOYSA-N
XLogP1.86
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2-methylpropan-2-yl) N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate?
The IUPAC name of (1-hydroxy-2-methylpropan-2-yl) N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate (CID 175939172) is (1-hydroxy-2-methylpropan-2-yl) N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate.
What is the SMILES notation for (1-hydroxy-2-methylpropan-2-yl) N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate?
The canonical SMILES for (1-hydroxy-2-methylpropan-2-yl) N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate is CN(C(=O)OC(C)(C)CO)C1CNc2ccccc2C1.
What is the InChIKey of (1-hydroxy-2-methylpropan-2-yl) N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate?
The InChIKey is BCLGFGVNINIKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,10-18)20-14(19)17(3)12-8-11-6-4-5-7-13(11)16-9-12/h4-7,12,16,18H,8-10H2,1-3H3.
What are the key properties of (1-hydroxy-2-methylpropan-2-yl) N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate?
(1-hydroxy-2-methylpropan-2-yl) N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate has a molecular weight of 278.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2-methylpropan-2-yl) N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate is sourced from PubChem (CID 175939172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).