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

C20H20N2O3 — CID 175296942

IUPAC[5-(5-cyano-2-methoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCOc1ccc(C#N)cc1-c1ccc2c(c1)CC(C)(C)C2OC(N)=O
InChIInChI=1S/C20H20N2O3/c1-20(2)10-14-9-13(5-6-15(14)18(20)25-19(22)23)16-8-12(11-21)4-7-17(16)24-3/h4-9,18H,10H2,1-3H3,(H2,22,23)
InChIKeyMBJKXEITSUQAOA-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.95
Rot. Bonds3

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

[5-(5-cyano-2-methoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (PubChem CID 175296942) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is [5-(5-cyano-2-methoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[5-(5-cyano-2-methoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
PubChem CID175296942
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name[5-(5-cyano-2-methoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCOc1ccc(C#N)cc1-c1ccc2c(c1)CC(C)(C)C2OC(N)=O
InChIInChI=1S/C20H20N2O3/c1-20(2)10-14-9-13(5-6-15(14)18(20)25-19(22)23)16-8-12(11-21)4-7-17(16)24-3/h4-9,18H,10H2,1-3H3,(H2,22,23)
InChIKeyMBJKXEITSUQAOA-UHFFFAOYSA-N
XLogP3.95
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,5-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296886
[5-(4-tert-butylphenyl)-6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296888
[2,2-dimethyl-5-[2-(trifluoromethoxy)phenyl]-1,3-dihydroinden-1-yl] carbamate
CID 175296610
[5-(2-butoxy-5-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296936
[6-methoxy-2,2-dimethyl-5-(3-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl] carbamate
CID 175296868
[5-(4-butoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296580
[5-(2,5-dichloro-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296930
[6-methoxy-5-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296896
[(1R)-2,2-dimethyl-5-(3-methyl-4-propoxyphenyl)-1,3-dihydroinden-1-yl] carbamate
CID 175498011
[2,2-dimethyl-5-[4-(2-methylpropyl)phenyl]-1,3-dihydroinden-1-yl] carbamate
CID 175296612
[6-(4-chloro-3-methoxyphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate
CID 175568855
[5-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 174231699

Frequently Asked Questions

What is the IUPAC name of [5-(5-cyano-2-methoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [5-(5-cyano-2-methoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (CID 175296942) is [5-(5-cyano-2-methoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [5-(5-cyano-2-methoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [5-(5-cyano-2-methoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is COc1ccc(C#N)cc1-c1ccc2c(c1)CC(C)(C)C2OC(N)=O.
What is the InChIKey of [5-(5-cyano-2-methoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is MBJKXEITSUQAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-20(2)10-14-9-13(5-6-15(14)18(20)25-19(22)23)16-8-12(11-21)4-7-17(16)24-3/h4-9,18H,10H2,1-3H3,(H2,22,23).
What are the key properties of [5-(5-cyano-2-methoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
[5-(5-cyano-2-methoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate has a molecular weight of 336.39 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-cyano-2-methoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 175296942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).