[2,2-diethyl-5-(furan-3-yl)-1,3-dihydroinden-1-yl] carbamate

C18H21NO3 — CID 175296858

IUPAC[2,2-diethyl-5-(furan-3-yl)-1,3-dihydroinden-1-yl] carbamate
SMILESCCC1(CC)Cc2cc(-c3ccoc3)ccc2C1OC(N)=O
InChIInChI=1S/C18H21NO3/c1-3-18(4-2)10-14-9-12(13-7-8-21-11-13)5-6-15(14)16(18)22-17(19)20/h5-9,11,16H,3-4,10H2,1-2H3,(H2,19,20)
InChIKeyAARALRAOUXSKRA-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.45
Rot. Bonds4

About [2,2-diethyl-5-(furan-3-yl)-1,3-dihydroinden-1-yl] carbamate

[2,2-diethyl-5-(furan-3-yl)-1,3-dihydroinden-1-yl] carbamate (PubChem CID 175296858) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is [2,2-diethyl-5-(furan-3-yl)-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[2,2-diethyl-5-(furan-3-yl)-1,3-dihydroinden-1-yl] carbamate
PubChem CID175296858
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name[2,2-diethyl-5-(furan-3-yl)-1,3-dihydroinden-1-yl] carbamate
SMILESCCC1(CC)Cc2cc(-c3ccoc3)ccc2C1OC(N)=O
InChIInChI=1S/C18H21NO3/c1-3-18(4-2)10-14-9-12(13-7-8-21-11-13)5-6-15(14)16(18)22-17(19)20/h5-9,11,16H,3-4,10H2,1-2H3,(H2,19,20)
InChIKeyAARALRAOUXSKRA-UHFFFAOYSA-N
XLogP4.45
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[3-(dimethylamino)phenyl]-2,2-diethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296583
[5-(4-butoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296580
[(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
[2,2-dimethyl-5-[4-(2-methylpropyl)phenyl]-1,3-dihydroinden-1-yl] carbamate
CID 175296612
[(1R)-2,2-dimethyl-5-(3-methyl-4-propoxyphenyl)-1,3-dihydroinden-1-yl] carbamate
CID 175498011
[2,2-dimethyl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate
CID 175568841
[2,2-dimethyl-5-(3-methylsulfanylphenyl)-1,3-dihydroinden-1-yl] carbamate
CID 175378977
[5-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 174231699
[5-(2,5-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296886
ethyl 4-(furan-3-yl)benzoate
CID 86071197
[6-(4-chloro-3-methoxyphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate
CID 175568855

Frequently Asked Questions

What is the IUPAC name of [2,2-diethyl-5-(furan-3-yl)-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [2,2-diethyl-5-(furan-3-yl)-1,3-dihydroinden-1-yl] carbamate (CID 175296858) is [2,2-diethyl-5-(furan-3-yl)-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [2,2-diethyl-5-(furan-3-yl)-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [2,2-diethyl-5-(furan-3-yl)-1,3-dihydroinden-1-yl] carbamate is CCC1(CC)Cc2cc(-c3ccoc3)ccc2C1OC(N)=O.
What is the InChIKey of [2,2-diethyl-5-(furan-3-yl)-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is AARALRAOUXSKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-18(4-2)10-14-9-12(13-7-8-21-11-13)5-6-15(14)16(18)22-17(19)20/h5-9,11,16H,3-4,10H2,1-2H3,(H2,19,20).
What are the key properties of [2,2-diethyl-5-(furan-3-yl)-1,3-dihydroinden-1-yl] carbamate?
[2,2-diethyl-5-(furan-3-yl)-1,3-dihydroinden-1-yl] carbamate has a molecular weight of 299.37 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-diethyl-5-(furan-3-yl)-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 175296858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).