[5-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate

C20H23NO2 — CID 175296717

IUPAC[5-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCc1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cc1C
InChIInChI=1S/C20H23NO2/c1-12-5-6-14(9-13(12)2)15-7-8-17-16(10-15)11-20(3,4)18(17)23-19(21)22/h5-10,18H,11H2,1-4H3,(H2,21,22)
InChIKeyFZXQOWFWLLYTQA-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.69
Rot. Bonds2

About [5-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate

[5-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (PubChem CID 175296717) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is [5-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[5-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
PubChem CID175296717
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name[5-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCc1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cc1C
InChIInChI=1S/C20H23NO2/c1-12-5-6-14(9-13(12)2)15-7-8-17-16(10-15)11-20(3,4)18(17)23-19(21)22/h5-10,18H,11H2,1-4H3,(H2,21,22)
InChIKeyFZXQOWFWLLYTQA-UHFFFAOYSA-N
XLogP4.69
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [5-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (CID 175296717) is [5-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [5-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [5-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is Cc1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cc1C.
What is the InChIKey of [5-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is FZXQOWFWLLYTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-12-5-6-14(9-13(12)2)15-7-8-17-16(10-15)11-20(3,4)18(17)23-19(21)22/h5-10,18H,11H2,1-4H3,(H2,21,22).
What are the key properties of [5-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
[5-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate has a molecular weight of 309.41 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 175296717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).