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

C20H23NO4 — CID 175296893

IUPAC[5-[2-(methoxymethoxy)phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCOCOc1ccccc1-c1ccc2c(c1)CC(C)(C)C2OC(N)=O
InChIInChI=1S/C20H23NO4/c1-20(2)11-14-10-13(8-9-16(14)18(20)25-19(21)22)15-6-4-5-7-17(15)24-12-23-3/h4-10,18H,11-12H2,1-3H3,(H2,21,22)
InChIKeyVLLZDYIMYKNWLN-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.05
Rot. Bonds5

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

[5-[2-(methoxymethoxy)phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (PubChem CID 175296893) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [5-[2-(methoxymethoxy)phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[5-[2-(methoxymethoxy)phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
PubChem CID175296893
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[5-[2-(methoxymethoxy)phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCOCOc1ccccc1-c1ccc2c(c1)CC(C)(C)C2OC(N)=O
InChIInChI=1S/C20H23NO4/c1-20(2)11-14-10-13(8-9-16(14)18(20)25-19(21)22)15-6-4-5-7-17(15)24-12-23-3/h4-10,18H,11-12H2,1-3H3,(H2,21,22)
InChIKeyVLLZDYIMYKNWLN-UHFFFAOYSA-N
XLogP4.05
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[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
[5-(4-butoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296580
[5-(2,5-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296886
[5-(5-cyano-2-methoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296942
[(1R)-5-(4-tert-butylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175497922
[5-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296717
[5-(2,5-dichloro-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296930
(2,2-dimethyl-5-quinolin-3-yl-1,3-dihydroinden-1-yl) carbamate
CID 175296735
[(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
[2,2-dimethyl-5-(3-methylsulfanylphenyl)-1,3-dihydroinden-1-yl] carbamate
CID 175378977

Frequently Asked Questions

What is the IUPAC name of [5-[2-(methoxymethoxy)phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [5-[2-(methoxymethoxy)phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (CID 175296893) is [5-[2-(methoxymethoxy)phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [5-[2-(methoxymethoxy)phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [5-[2-(methoxymethoxy)phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is COCOc1ccccc1-c1ccc2c(c1)CC(C)(C)C2OC(N)=O.
What is the InChIKey of [5-[2-(methoxymethoxy)phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is VLLZDYIMYKNWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-20(2)11-14-10-13(8-9-16(14)18(20)25-19(21)22)15-6-4-5-7-17(15)24-12-23-3/h4-10,18H,11-12H2,1-3H3,(H2,21,22).
What are the key properties of [5-[2-(methoxymethoxy)phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
[5-[2-(methoxymethoxy)phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate has a molecular weight of 341.41 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(methoxymethoxy)phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 175296893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).