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

C22H27NO4 — CID 175296868

IUPAC[6-methoxy-2,2-dimethyl-5-(3-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl] carbamate
SMILESCOc1cc2c(cc1-c1cccc(OC(C)C)c1)CC(C)(C)C2OC(N)=O
InChIInChI=1S/C22H27NO4/c1-13(2)26-16-8-6-7-14(9-16)17-10-15-12-22(3,4)20(27-21(23)24)18(15)11-19(17)25-5/h6-11,13,20H,12H2,1-5H3,(H2,23,24)
InChIKeyFXYRQNJFWQKMIS-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.87
Rot. Bonds5

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

[6-methoxy-2,2-dimethyl-5-(3-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl] carbamate (PubChem CID 175296868) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is [6-methoxy-2,2-dimethyl-5-(3-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[6-methoxy-2,2-dimethyl-5-(3-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl] carbamate
PubChem CID175296868
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name[6-methoxy-2,2-dimethyl-5-(3-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl] carbamate
SMILESCOc1cc2c(cc1-c1cccc(OC(C)C)c1)CC(C)(C)C2OC(N)=O
InChIInChI=1S/C22H27NO4/c1-13(2)26-16-8-6-7-14(9-16)17-10-15-12-22(3,4)20(27-21(23)24)18(15)11-19(17)25-5/h6-11,13,20H,12H2,1-5H3,(H2,23,24)
InChIKeyFXYRQNJFWQKMIS-UHFFFAOYSA-N
XLogP4.87
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-tert-butylphenyl)-6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296888
[6-methoxy-5-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296896
[(1R)-6-fluoro-5-(3-fluoro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175498082
[(1R)-5-(3-chloro-5-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175497935
[(1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175498021
[5-(5-cyano-2-methoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296942
[5-(3,5-dimethyl-4-propoxyphenyl)-6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296774
[6-fluoro-5-(2-fluoro-4-methoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296812
[5-[2-(methoxymethoxy)phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296893
[2,2-dimethyl-5-[2-(trifluoromethoxy)phenyl]-1,3-dihydroinden-1-yl] carbamate
CID 175296610
[5-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 174231699
[6-(3-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296738

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-2,2-dimethyl-5-(3-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [6-methoxy-2,2-dimethyl-5-(3-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl] carbamate (CID 175296868) is [6-methoxy-2,2-dimethyl-5-(3-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [6-methoxy-2,2-dimethyl-5-(3-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [6-methoxy-2,2-dimethyl-5-(3-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl] carbamate is COc1cc2c(cc1-c1cccc(OC(C)C)c1)CC(C)(C)C2OC(N)=O.
What is the InChIKey of [6-methoxy-2,2-dimethyl-5-(3-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is FXYRQNJFWQKMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-13(2)26-16-8-6-7-14(9-16)17-10-15-12-22(3,4)20(27-21(23)24)18(15)11-19(17)25-5/h6-11,13,20H,12H2,1-5H3,(H2,23,24).
What are the key properties of [6-methoxy-2,2-dimethyl-5-(3-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl] carbamate?
[6-methoxy-2,2-dimethyl-5-(3-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl] carbamate has a molecular weight of 369.46 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-2,2-dimethyl-5-(3-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 175296868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).