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

C22H28N2O3 — CID 174231699

IUPAC[5-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCN(C)CCOc1cccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)c1
InChIInChI=1S/C22H28N2O3/c1-22(2)14-17-12-16(8-9-19(17)20(22)27-21(23)25)15-6-5-7-18(13-15)26-11-10-24(3)4/h5-9,12-13,20H,10-11,14H2,1-4H3,(H2,23,25)
InChIKeyBIQAQMCHRIFCSB-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.01
Rot. Bonds6

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

[5-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (PubChem CID 174231699) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is [5-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[5-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
PubChem CID174231699
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name[5-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCN(C)CCOc1cccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)c1
InChIInChI=1S/C22H28N2O3/c1-22(2)14-17-12-16(8-9-19(17)20(22)27-21(23)25)15-6-5-7-18(13-15)26-11-10-24(3)4/h5-9,12-13,20H,10-11,14H2,1-4H3,(H2,23,25)
InChIKeyBIQAQMCHRIFCSB-UHFFFAOYSA-N
XLogP4.01
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate with MolForge

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Related Compounds

[5-(4-butoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296580
[2,2-dimethyl-5-(3-methylsulfanylphenyl)-1,3-dihydroinden-1-yl] carbamate
CID 175378977
[(1R)-5-(3-butoxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175498078
[5-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296717
(2,2-dimethyl-5-quinolin-3-yl-1,3-dihydroinden-1-yl) carbamate
CID 175296735
[2,2-dimethyl-5-[4-(2-methylpropyl)phenyl]-1,3-dihydroinden-1-yl] carbamate
CID 175296612
[6-(3-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296738
[5-[3-(dimethylamino)phenyl]-2,2-diethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296583
[(1R)-5-(3-chloro-5-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175497935
N,N-dimethyl-2-(3-phenylphenoxy)ethanamine
CID 14105422
[5-(2,5-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296886
[5-(2,5-dichloro-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296930

Frequently Asked Questions

What is the IUPAC name of [5-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [5-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (CID 174231699) is [5-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [5-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [5-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is CN(C)CCOc1cccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)c1.
What is the InChIKey of [5-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is BIQAQMCHRIFCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-22(2)14-17-12-16(8-9-19(17)20(22)27-21(23)25)15-6-5-7-18(13-15)26-11-10-24(3)4/h5-9,12-13,20H,10-11,14H2,1-4H3,(H2,23,25).
What are the key properties of [5-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
[5-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate has a molecular weight of 368.48 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 174231699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).