tert-butyl N-methyl-N-(4-methyl-1,3-dihydroisoindol-2-yl)carbamate

C15H22N2O2 — CID 133063868

IUPACtert-butyl N-methyl-N-(4-methyl-1,3-dihydroisoindol-2-yl)carbamate
SMILESCc1cccc2c1CN(N(C)C(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H22N2O2/c1-11-7-6-8-12-9-17(10-13(11)12)16(5)14(18)19-15(2,3)4/h6-8H,9-10H2,1-5H3
InChIKeyNNQONRXOXYMXQN-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.09
Rot. Bonds1

About tert-butyl N-methyl-N-(4-methyl-1,3-dihydroisoindol-2-yl)carbamate

tert-butyl N-methyl-N-(4-methyl-1,3-dihydroisoindol-2-yl)carbamate (PubChem CID 133063868) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(4-methyl-1,3-dihydroisoindol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(4-methyl-1,3-dihydroisoindol-2-yl)carbamate
PubChem CID133063868
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl N-methyl-N-(4-methyl-1,3-dihydroisoindol-2-yl)carbamate
SMILESCc1cccc2c1CN(N(C)C(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H22N2O2/c1-11-7-6-8-12-9-17(10-13(11)12)16(5)14(18)19-15(2,3)4/h6-8H,9-10H2,1-5H3
InChIKeyNNQONRXOXYMXQN-UHFFFAOYSA-N
XLogP3.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(4-methyl-1,3-dihydroisoindol-2-yl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(4-methyl-1,3-dihydroisoindol-2-yl)carbamate (CID 133063868) is tert-butyl N-methyl-N-(4-methyl-1,3-dihydroisoindol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(4-methyl-1,3-dihydroisoindol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(4-methyl-1,3-dihydroisoindol-2-yl)carbamate is Cc1cccc2c1CN(N(C)C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl N-methyl-N-(4-methyl-1,3-dihydroisoindol-2-yl)carbamate?
The InChIKey is NNQONRXOXYMXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-7-6-8-12-9-17(10-13(11)12)16(5)14(18)19-15(2,3)4/h6-8H,9-10H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-(4-methyl-1,3-dihydroisoindol-2-yl)carbamate?
tert-butyl N-methyl-N-(4-methyl-1,3-dihydroisoindol-2-yl)carbamate has a molecular weight of 262.35 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(4-methyl-1,3-dihydroisoindol-2-yl)carbamate is sourced from PubChem (CID 133063868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).