[2,2-dimethyl-5-[6-(2-methylpropoxy)-3-pyridinyl]-1,3-dihydroinden-1-yl] carbamate

C21H26N2O3 — CID 175296660

IUPAC[2,2-dimethyl-5-[6-(2-methylpropoxy)-3-pyridinyl]-1,3-dihydroinden-1-yl] carbamate
SMILESCC(C)COc1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cn1
InChIInChI=1S/C21H26N2O3/c1-13(2)12-25-18-8-6-15(11-23-18)14-5-7-17-16(9-14)10-21(3,4)19(17)26-20(22)24/h5-9,11,13,19H,10,12H2,1-4H3,(H2,22,24)
InChIKeySHAGXACNYROYDX-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.50
Rot. Bonds5

About [2,2-dimethyl-5-[6-(2-methylpropoxy)-3-pyridinyl]-1,3-dihydroinden-1-yl] carbamate

[2,2-dimethyl-5-[6-(2-methylpropoxy)-3-pyridinyl]-1,3-dihydroinden-1-yl] carbamate (PubChem CID 175296660) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is [2,2-dimethyl-5-[6-(2-methylpropoxy)-3-pyridinyl]-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[2,2-dimethyl-5-[6-(2-methylpropoxy)-3-pyridinyl]-1,3-dihydroinden-1-yl] carbamate
PubChem CID175296660
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name[2,2-dimethyl-5-[6-(2-methylpropoxy)-3-pyridinyl]-1,3-dihydroinden-1-yl] carbamate
SMILESCC(C)COc1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cn1
InChIInChI=1S/C21H26N2O3/c1-13(2)12-25-18-8-6-15(11-23-18)14-5-7-17-16(9-14)10-21(3,4)19(17)26-20(22)24/h5-9,11,13,19H,10,12H2,1-4H3,(H2,22,24)
InChIKeySHAGXACNYROYDX-UHFFFAOYSA-N
XLogP4.50
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-5-[6-(2-methylpropoxy)-3-pyridinyl]-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [2,2-dimethyl-5-[6-(2-methylpropoxy)-3-pyridinyl]-1,3-dihydroinden-1-yl] carbamate (CID 175296660) is [2,2-dimethyl-5-[6-(2-methylpropoxy)-3-pyridinyl]-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [2,2-dimethyl-5-[6-(2-methylpropoxy)-3-pyridinyl]-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [2,2-dimethyl-5-[6-(2-methylpropoxy)-3-pyridinyl]-1,3-dihydroinden-1-yl] carbamate is CC(C)COc1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cn1.
What is the InChIKey of [2,2-dimethyl-5-[6-(2-methylpropoxy)-3-pyridinyl]-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is SHAGXACNYROYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-13(2)12-25-18-8-6-15(11-23-18)14-5-7-17-16(9-14)10-21(3,4)19(17)26-20(22)24/h5-9,11,13,19H,10,12H2,1-4H3,(H2,22,24).
What are the key properties of [2,2-dimethyl-5-[6-(2-methylpropoxy)-3-pyridinyl]-1,3-dihydroinden-1-yl] carbamate?
[2,2-dimethyl-5-[6-(2-methylpropoxy)-3-pyridinyl]-1,3-dihydroinden-1-yl] carbamate has a molecular weight of 354.45 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-5-[6-(2-methylpropoxy)-3-pyridinyl]-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 175296660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).