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

C20H24N2O3 — CID 175296785

IUPAC[2,2-dimethyl-5-(6-propan-2-yloxy-3-pyridinyl)-1,3-dihydroinden-1-yl] carbamate
SMILESCC(C)Oc1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cn1
InChIInChI=1S/C20H24N2O3/c1-12(2)24-17-8-6-14(11-22-17)13-5-7-16-15(9-13)10-20(3,4)18(16)25-19(21)23/h5-9,11-12,18H,10H2,1-4H3,(H2,21,23)
InChIKeyCHCKWKBSGYHBPK-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.25
Rot. Bonds4

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

[2,2-dimethyl-5-(6-propan-2-yloxy-3-pyridinyl)-1,3-dihydroinden-1-yl] carbamate (PubChem CID 175296785) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is [2,2-dimethyl-5-(6-propan-2-yloxy-3-pyridinyl)-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[2,2-dimethyl-5-(6-propan-2-yloxy-3-pyridinyl)-1,3-dihydroinden-1-yl] carbamate
PubChem CID175296785
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name[2,2-dimethyl-5-(6-propan-2-yloxy-3-pyridinyl)-1,3-dihydroinden-1-yl] carbamate
SMILESCC(C)Oc1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cn1
InChIInChI=1S/C20H24N2O3/c1-12(2)24-17-8-6-14(11-22-17)13-5-7-16-15(9-13)10-20(3,4)18(16)25-19(21)23/h5-9,11-12,18H,10H2,1-4H3,(H2,21,23)
InChIKeyCHCKWKBSGYHBPK-UHFFFAOYSA-N
XLogP4.25
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.25
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-propan-2-yloxy-3-pyridinyl)-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [2,2-dimethyl-5-(6-propan-2-yloxy-3-pyridinyl)-1,3-dihydroinden-1-yl] carbamate (CID 175296785) is [2,2-dimethyl-5-(6-propan-2-yloxy-3-pyridinyl)-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [2,2-dimethyl-5-(6-propan-2-yloxy-3-pyridinyl)-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [2,2-dimethyl-5-(6-propan-2-yloxy-3-pyridinyl)-1,3-dihydroinden-1-yl] carbamate is CC(C)Oc1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cn1.
What is the InChIKey of [2,2-dimethyl-5-(6-propan-2-yloxy-3-pyridinyl)-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is CHCKWKBSGYHBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-12(2)24-17-8-6-14(11-22-17)13-5-7-16-15(9-13)10-20(3,4)18(16)25-19(21)23/h5-9,11-12,18H,10H2,1-4H3,(H2,21,23).
What are the key properties of [2,2-dimethyl-5-(6-propan-2-yloxy-3-pyridinyl)-1,3-dihydroinden-1-yl] carbamate?
[2,2-dimethyl-5-(6-propan-2-yloxy-3-pyridinyl)-1,3-dihydroinden-1-yl] carbamate has a molecular weight of 340.42 g/mol, XLogP of 4.25, 4 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-propan-2-yloxy-3-pyridinyl)-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 175296785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).