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

C19H22N2O3 — CID 175296772

IUPAC[5-(6-ethoxy-3-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCCOc1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cn1
InChIInChI=1S/C19H22N2O3/c1-4-23-16-8-6-13(11-21-16)12-5-7-15-14(9-12)10-19(2,3)17(15)24-18(20)22/h5-9,11,17H,4,10H2,1-3H3,(H2,20,22)
InChIKeyGOMAIPAATZXOLX-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.87
Rot. Bonds4

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

[5-(6-ethoxy-3-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (PubChem CID 175296772) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is [5-(6-ethoxy-3-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[5-(6-ethoxy-3-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
PubChem CID175296772
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name[5-(6-ethoxy-3-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCCOc1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cn1
InChIInChI=1S/C19H22N2O3/c1-4-23-16-8-6-13(11-21-16)12-5-7-15-14(9-12)10-19(2,3)17(15)24-18(20)22/h5-9,11,17H,4,10H2,1-3H3,(H2,20,22)
InChIKeyGOMAIPAATZXOLX-UHFFFAOYSA-N
XLogP3.87
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(6-ethoxy-3-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [5-(6-ethoxy-3-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (CID 175296772) is [5-(6-ethoxy-3-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [5-(6-ethoxy-3-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [5-(6-ethoxy-3-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is CCOc1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cn1.
What is the InChIKey of [5-(6-ethoxy-3-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is GOMAIPAATZXOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-23-16-8-6-13(11-21-16)12-5-7-15-14(9-12)10-19(2,3)17(15)24-18(20)22/h5-9,11,17H,4,10H2,1-3H3,(H2,20,22).
What are the key properties of [5-(6-ethoxy-3-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
[5-(6-ethoxy-3-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate has a molecular weight of 326.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-ethoxy-3-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 175296772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).