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

C20H23NO2 — CID 175296886

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

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

[5-(2,5-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (PubChem CID 175296886) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is [5-(2,5-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[5-(2,5-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
PubChem CID175296886
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name[5-(2,5-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCc1ccc(C)c(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)c1
InChIInChI=1S/C20H23NO2/c1-12-5-6-13(2)17(9-12)14-7-8-16-15(10-14)11-20(3,4)18(16)23-19(21)22/h5-10,18H,11H2,1-4H3,(H2,21,22)
InChIKeyZWUDWGZNACPODL-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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Related Compounds

[5-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296717
[2,2-dimethyl-5-[2-(trifluoromethoxy)phenyl]-1,3-dihydroinden-1-yl] carbamate
CID 175296610
[5-(2,5-dichloro-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296930
[5-[2-(methoxymethoxy)phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296893
[2,2-dimethyl-5-[4-(2-methylpropyl)phenyl]-1,3-dihydroinden-1-yl] carbamate
CID 175296612
[2,2-dimethyl-5-(3-methylsulfanylphenyl)-1,3-dihydroinden-1-yl] carbamate
CID 175378977
[5-(2-butoxy-5-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296936
(2,2-dimethyl-5-quinolin-3-yl-1,3-dihydroinden-1-yl) carbamate
CID 175296735
[6-(2-fluorophenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate
CID 175568714
[2,2-dimethyl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate
CID 175568841
[6-(3-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296738
[6-methoxy-5-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296896

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [5-(2,5-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (CID 175296886) is [5-(2,5-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [5-(2,5-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [5-(2,5-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is Cc1ccc(C)c(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)c1.
What is the InChIKey of [5-(2,5-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is ZWUDWGZNACPODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-12-5-6-13(2)17(9-12)14-7-8-16-15(10-14)11-20(3,4)18(16)23-19(21)22/h5-10,18H,11H2,1-4H3,(H2,21,22).
What are the key properties of [5-(2,5-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
[5-(2,5-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-(2,5-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 175296886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).