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

C22H28N2O2 — CID 175296583

IUPAC[5-[3-(dimethylamino)phenyl]-2,2-diethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCCC1(CC)Cc2cc(-c3cccc(N(C)C)c3)ccc2C1OC(N)=O
InChIInChI=1S/C22H28N2O2/c1-5-22(6-2)14-17-12-16(10-11-19(17)20(22)26-21(23)25)15-8-7-9-18(13-15)24(3)4/h7-13,20H,5-6,14H2,1-4H3,(H2,23,25)
InChIKeyDOSJFHZANJUFAC-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.92
Rot. Bonds5

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

[5-[3-(dimethylamino)phenyl]-2,2-diethyl-1,3-dihydroinden-1-yl] carbamate (PubChem CID 175296583) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is [5-[3-(dimethylamino)phenyl]-2,2-diethyl-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[5-[3-(dimethylamino)phenyl]-2,2-diethyl-1,3-dihydroinden-1-yl] carbamate
PubChem CID175296583
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name[5-[3-(dimethylamino)phenyl]-2,2-diethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCCC1(CC)Cc2cc(-c3cccc(N(C)C)c3)ccc2C1OC(N)=O
InChIInChI=1S/C22H28N2O2/c1-5-22(6-2)14-17-12-16(10-11-19(17)20(22)26-21(23)25)15-8-7-9-18(13-15)24(3)4/h7-13,20H,5-6,14H2,1-4H3,(H2,23,25)
InChIKeyDOSJFHZANJUFAC-UHFFFAOYSA-N
XLogP4.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2,2-diethyl-5-(furan-3-yl)-1,3-dihydroinden-1-yl] carbamate
CID 175296858
[5-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 174231699
[5-(4-butoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296580
[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
(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-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate
CID 175568841
[6-(3-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296738
[5-[2-(methoxymethoxy)phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296893
[3,3-dimethyl-7-(3-phenylphenyl)-2,4-dihydrochromen-4-yl] carbamate
CID 175254067
2-[4-[3-(dimethylamino)phenyl]phenyl]acetic acid
CID 39226081

Frequently Asked Questions

What is the IUPAC name of [5-[3-(dimethylamino)phenyl]-2,2-diethyl-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [5-[3-(dimethylamino)phenyl]-2,2-diethyl-1,3-dihydroinden-1-yl] carbamate (CID 175296583) is [5-[3-(dimethylamino)phenyl]-2,2-diethyl-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [5-[3-(dimethylamino)phenyl]-2,2-diethyl-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [5-[3-(dimethylamino)phenyl]-2,2-diethyl-1,3-dihydroinden-1-yl] carbamate is CCC1(CC)Cc2cc(-c3cccc(N(C)C)c3)ccc2C1OC(N)=O.
What is the InChIKey of [5-[3-(dimethylamino)phenyl]-2,2-diethyl-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is DOSJFHZANJUFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-5-22(6-2)14-17-12-16(10-11-19(17)20(22)26-21(23)25)15-8-7-9-18(13-15)24(3)4/h7-13,20H,5-6,14H2,1-4H3,(H2,23,25).
What are the key properties of [5-[3-(dimethylamino)phenyl]-2,2-diethyl-1,3-dihydroinden-1-yl] carbamate?
[5-[3-(dimethylamino)phenyl]-2,2-diethyl-1,3-dihydroinden-1-yl] carbamate has a molecular weight of 352.48 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(dimethylamino)phenyl]-2,2-diethyl-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 175296583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).